[1,1′-Biphenyl]-4-methanol

C₁₃H₁₂OCAS 3597-91-9184.24 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₁₃H₁₂O
Molar mass: 184.24 g/mol
Exact mass: 184.0888 Da
Melting point: 101–102 °C
Boiling point: 183–184 °C (at 11 Torr)
logP: 2.85Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3597-91-9

SMILES

OCc1ccc(-c2ccccc2)cc1

InChIKey

AXCHZLOJGKSWLV-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all

4-Biphenylmethanol
p-Phenylbenzyl alcohol
4-(Hydroxymethyl)biphenyl
4HMB
4-Biphenylylmethanol
4-Phenylbenzyl alcohol
4-Hydroxymethyl-1,1′-biphenyl
NSC 233860
NSC 84169
(4-Phenylphenyl)methanol
(1,1′-Biphenyl-4-yl)methanol
([1,1′-Biphenyl]-4-ylmethyl)alcohol
(1,1'-Biphenyl)-4-methanol

Work with [1,1′-Biphenyl]-4-methanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4'-Bis(hydroxymethyl)biphenyl1667-12-579 % similar Benzyl alcohol100-51-670 % similar 1,4-Benzenedimethanol589-29-763 % similar (4-Phenoxyphenyl)methanol2215-78-358 % similar 4-(Phenylthio)benzenemethanol6317-56-258 % similar P-Benzylbiphenyl613-42-357 % similar para-Quaterphenyl135-70-653 % similar P-Quinquephenyl3073-05-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Benzylphenol101-53-1 3-Methoxybiphenyl2113-56-6 2-Benzylphenol28994-41-4 (1,1'-Biphenyl)-2-methanol2928-43-0 3-Phenoxytoluene3586-14-9 4-Methoxybiphenyl613-37-6 6-Methoxy-2-vinylnaphthalene63444-51-9 3-Biphenylmethanol69605-90-9

Elsewhere

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