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Naproxen
CAS: 22204-53-1 | C14H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22204-53-1
- Molecular Formula
- C14H14O3
- Molecular Mass
- 230.26 g/mol
Identifiers
CAS Registry Number
22204-53-1
SMILES
COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
InChI Key
CMWTZPSULFXXJA-VIFPVBQESA-N
InChI
InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
Names and Synonyms
- Naproxen Common Name
- 2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, (αS)- Synonym
- 2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, (+)- Synonym
- 2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, (S)- Synonym
- (αS)-6-Methoxy-α-methyl-2-naphthaleneacetic acid Synonym
- (+)-2-(6-Methoxy-2-naphthyl)propionic acid Synonym
- Naproxen Synonym
- (+)-6-Methoxy-α-methyl-2-naphthaleneacetic acid Synonym
- d-2-(6-Methoxy-2-naphthyl)propionic acid Synonym
- d-Naproxen Synonym
- CG 3117 Synonym
- Naprosyn Synonym
- Equiproxen Synonym
- Naixan Synonym
- (+)-Naproxen Synonym
- (S)-(+)-Naproxen Synonym
- (S)-Naproxen Synonym
- (+)-(S)-Naproxen Synonym
- (S)-2-(6-Methoxy-2-naphthyl)propionic acid Synonym
- (S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid Synonym
- (S)-6-Methoxy-α-methyl-2-naphthaleneacetic acid Synonym
- (S)-2-(6-Methoxy-2-naphthyl)propanoic acid Synonym
- (S)-(+)-Naproxene Synonym
- Apo-Naproxen Synonym
- Diocodal Synonym
- RS 3540 Synonym
- Laraflex Synonym
- Naprosyne Synonym
- Naxen Synonym
- MNPA Synonym
- Naprux Synonym
- Laser Synonym
- Bonyl Synonym
- Napren Synonym
- Floginax Synonym
- Veradol Synonym
- Proxen Synonym
- Panoxen Synonym
- Proxine Synonym
- Xenar Synonym
- Dysmenalgit Synonym
- Reuxen Synonym
- Nycopren Synonym
- Prexan Synonym
- Naprium Synonym
- Naprius Synonym
- (S)-α-Methyl-6-methoxynaphthalene-2-acetic acid Synonym
- Aproxen Synonym
- (S)-2-(6-Methoxynaphthalen-2-yl)propionic acid Synonym
- (S)-2-(6-Methoxynaphthalen-2-yl)propanoic acid Synonym
- Xenar-CR Synonym
- (2S)-2-(6-Methoxy-2-naphthyl)propanoic acid Synonym
- (+)-(S)-2-(6-Methoxynaphthalen-2-yl)propanoic acid Synonym
- (2S)-2-(6-Methoxynaphthalen-2-yl)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.26 g/mol | CAS Common Chemistry |
| 230.26299999999998 g/mol | RDKit | |
| 230.263 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.24 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C(C1=CC=C2C=C(OC)C=CC2=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CMWTZPSULFXXJA-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 152-154 °C | CAS Common Chemistry |
| Name | Naproxen | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 3.036500000000001 | RDKit |
| 3.0365 | RDKit | |
| Molar Refractivity | 66.55080000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2143 | RDKit |
| 0.21 | chempirical lib | |
| Exact Mass | 230.094294308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Related
Related molecules
Other compounds with formula C14H14O3.
