[1,1′-Biphenyl]-2-Methanol

CAS: 2928-43-0 · C13H12O

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 2928-43-0
Molecular Formula: C13H12O
Molecular Mass: 184.24 g/mol

Identifiers

CAS Registry Number

2928-43-0

SMILES

OCc1ccccc1-c1ccccc1

InChI Key

VKTQADPEPIVMHK-UHFFFAOYSA-N

InChI

InChI=1S/C13H12O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2

Names and Synonyms

[1,1′-Biphenyl]-2-Methanol Synonym
[1,1′-Biphenyl]-2-methanol Synonym
2-Biphenylmethanol Synonym
2-(Hydroxymethyl)biphenyl Synonym
2-Phenylbenzyl alcohol Synonym
1-Hydroxymethyl-2-phenylbenzene Synonym
(Biphenyl-2-yl)methyl alcohol Synonym
NSC 97773 Synonym
Biphenyl-2-ylmethanol Synonym
2-Hydroxymethyl-1,1′-biphenyl Synonym
o-Phenylbenzyl alcohol Synonym
(2-Phenylphenyl)methan-1-ol Synonym
[1,1′-Biphenyl]-2-ylmethanol Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	184.24 g/mol	CAS Common Chemistry
	184.238 g/mol	RDKit
Canonical SMILES	OCC=1C=CC=CC1C=2C=CC=CC2	CAS Common Chemistry
InChI	InChI=1S/C13H12O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2	CAS Common Chemistry
InChI Key	InChIKey=VKTQADPEPIVMHK-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	50-51 °C	CAS Common Chemistry
Name	[1,1′-Biphenyl]-2-methanol	CAS Common Chemistry
Heavy Atom Count	14	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 Å²	RDKit
LogP	2.8459000000000003	RDKit
	2.8459	RDKit
Molar Refractivity	57.80080000000003 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0769	RDKit
	0.08	chempirical lib
Exact Mass	184.088815004 g/mol	RDKit
Boiling Point	174 °C @ 12 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.

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MW = 184.24 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)

Related molecules

Other compounds with formula C13H12O.

Phenol, 4-(phenylmethyl)- CAS 101-53-1 Phenol, 2-(phenylmethyl)- CAS 28994-41-4 Benzene, 1-methyl-3-phenoxy- CAS 3586-14-9 [1,1′-Biphenyl]-4-methanol CAS 3597-91-9 1,1′-Biphenyl, 4-methoxy- CAS 613-37-6 o-Phenylanisol CAS 86-26-0