3-Methoxybiphenyl

C13H12OCAS 2113-56-6184.24 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C13H12O
Molar mass
184.24 g/mol
Exact mass
184.0888 Da
logP
3.36Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2113-56-6
SMILES
COC1=CC=CC(=C1)C2=CC=CC=C2
InChIKey
KQMIWCAOEFUBQK-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-10H,1H3

Weigh it out

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

Work with 3-Methoxybiphenyl

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

3,3'-Dimethoxybiphenyl6161-50-886 % similar 1,3-Dimethoxybenzene151-10-065 % similar 3'-Methoxy-[1,1'-biphenyl]-4-carbaldehyde209863-09-263 % similar Anisole100-66-361 % similar 3-(3-Methoxyphenyl)benzaldehyde126485-58-359 % similar 3-Methylanisole100-84-559 % similar 3'-Methoxy-biphenyl-4-carboxylic acid5783-36-857 % similar 3-Methoxydiphenylamine101-16-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Benzylphenol101-53-1 2-Benzylphenol28994-41-4 (1,1'-Biphenyl)-2-methanol2928-43-0 3-Phenoxytoluene3586-14-9 [1,1′-Biphenyl]-4-methanol3597-91-9 4-Methoxybiphenyl613-37-6 6-Methoxy-2-vinylnaphthalene63444-51-9 3-Biphenylmethanol69605-90-9

Elsewhere

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