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Molecule
2-Methyl[1,1′-Biphenyl]-3-Methanol
CAS: 76350-90-8 · C14H14O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 76350-90-8
- Molecular Formula
- C14H14O
- Molecular Mass
- 198.26 g/mol
Identifiers
CAS Registry Number
76350-90-8
SMILES
Cc1c(CO)cccc1-c1ccccc1
InChI Key
BGTLHJPGBIVQLJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3
Names and Synonyms
- 2-Methyl[1,1′-Biphenyl]-3-Methanol Synonym
- [1,1′-Biphenyl]-3-methanol, 2-methyl- Synonym
- 2-Methyl[1,1′-biphenyl]-3-methanol Synonym
- 3-Hydroxymethyl-2-methylbiphenyl Synonym
- 2-Methyl-3-phenylbenzyl alcohol Synonym
- 2-Methylbiphenyl-3-ylmethanol Synonym
- (2-Methyl-3-phenylphenyl)methanol Synonym
- (2-Methyl-[1,1′-biphenyl]-3-yl)methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.26 g/mol | CAS Common Chemistry |
| 198.265 g/mol | RDKit | |
| Canonical SMILES | OCC1=CC=CC(C=2C=CC=CC2)=C1C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BGTLHJPGBIVQLJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59-60 °C @ Solvent: Dichloromethane, Hexane | CAS Common Chemistry |
| Name | 2-Methyl[1,1′-biphenyl]-3-methanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.154320000000001 | RDKit |
| 3.1543 | RDKit | |
| Molar Refractivity | 62.53780000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 198.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 198.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14O.
