chempirical

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

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-Methoxydiphenylamine101-16-657 % similar 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-954 % 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 2-Methoxybiphenyl86-26-0 Diphenylmethanol91-01-0

Elsewhere

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