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4-Methoxyphenol
CAS: 150-76-5 | C7H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
150-76-5
Molecular Formula:
C7H8O2
Molecular Mass:
124.14 g/mol
Names and Synonyms:
4-Methoxyphenol
Phenol, 4-methoxy-
Phenol, p-methoxy-
4-Methoxyphenol
Hydroquinone monomethyl ether
Mequinol
p-Methoxyphenol
4-Hydroxyanisole
p-Hydroxyanisole
1-Hydroxy-4-methoxybenzene
HQMME
Hydroquinone methyl ether
Leucobasal
Leucodine B
Mechinolum
Novo-Dermoquinona
p-Guaiacol
PMF (antioxidant)
p-Hydroxymethoxybenzene
MEHQ
p-Hydroxyanisol
BMS 181158
MQ-F
NSC 4960
4-MP
p-Hydroxyphenyl methyl ether
Hydroxyquinone methyl ether
4-Hydroxyphenyl methyl ether
MQ
Methoquinone
HQ-MME
POEA 15
Identifiers:
SMILES:
COc1ccc(O)cc1
InChI:
InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
Key Properties
Boiling Point
243 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
57 °C
CAS Common Chemistry
Density
1.55 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.14 g/mol | CAS Common Chemistry |
| 124.13899999999997 g/mol | RDKit | |
| 124.052429496 g/mol | RDKit | |
| Density | 1.55 g/cm³ | CAS Common Chemistry |
| 1.55 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 243 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NWVVVBRKAWDGAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57 °C | CAS Common Chemistry |
| Name | 4-Methoxyphenol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.4008 | RDKit |
| Molar Refractivity | 34.6588 | RDKit |
