Back to Search
Molecule
2-Hydroxybutyrophenone
CAS: 2887-61-8 · C10H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2887-61-8
- Molecular Formula
- C10H12O2
- Molecular Mass
- 164.20 g/mol
Identifiers
CAS Registry Number
2887-61-8
SMILES
CCCC(=O)c1ccccc1O
InChI Key
GUDQIKIAWOAOFP-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h3-4,6-7,12H,2,5H2,1H3
Names and Synonyms
- 2-Hydroxybutyrophenone Systematic Name
- 1-Butanone, 1-(2-hydroxyphenyl)- Synonym
- Butyrophenone, 2′-hydroxy- Synonym
- 1-(2-Hydroxyphenyl)-1-butanone Synonym
- 2-Butyrylphenol Synonym
- o-Hydroxybutyrophenone Synonym
- 2-Hydroxybutyrophenone Synonym
- 2′-Hydroxybutyrophenone Synonym
- Propyl 2-hydroxyphenyl ketone Synonym
- Fenjuntong Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.20 g/mol | CAS Common Chemistry |
| 164.20399999999998 g/mol | RDKit | |
| 164.204 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0683 g/cm3 @ 24 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(C=1C=CC=CC1O)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h3-4,6-7,12H,2,5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GUDQIKIAWOAOFP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 10 °C | CAS Common Chemistry |
| Name | 2-Hydroxybutyrophenone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.3750000000000013 | RDKit |
| 2.375 | RDKit | |
| Molar Refractivity | 47.34530000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 164.083729624 g/mol | RDKit |
| Boiling Point | 124-126 °C @ 14 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 164.20 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12O2.
