4,4′-Bis(methoxymethyl)-1,1′-biphenyl

C₁₆H₁₈O₂CAS 3753-18-2242.32 g/mol

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Properties

Molecular formula: C₁₆H₁₈O₂
Molar mass: 242.32 g/mol
Exact mass: 242.1307 Da
Melting point: 46–49 °C
logP: 3.65Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

3753-18-2

SMILES

COCc1ccc(-c2ccc(COC)cc2)cc1

InChIKey

MODAACUAXYPNJH-UHFFFAOYSA-N

InChI

InChI=1S/C16H18O2/c1-17-11-13-3-7-15(8-4-13)16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3

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Names and synonyms

4 names

1,1′-Biphenyl, 4,4′-bis(methoxymethyl)-
p,p′-Bitolyl, α,α′-dimethoxy-
4,4′-Bis(methoxymethyl)biphenyl
1-(Methoxymethyl)-4-[4-(methoxymethyl)phenyl]benzene

Work with 4,4′-Bis(methoxymethyl)-1,1′-biphenyl

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

1,4-Bis(methoxymethyl)benzene6770-38-383 % similar 1,1′-Oxybis[4-(methoxymethyl)benzene]2509-26-465 % similar Benzyl methyl ether538-86-364 % similar 1,3-Dichloro-2-(methoxymethyl)benzene33486-90-739 % similar 4-(2-Methoxyethyl)phenol56718-71-938 % similar 4,4′-Bis(chloromethyl)biphenyl1667-10-338 % similar (2-Methoxyethyl)benzene3558-60-937 % similar 2-(Methoxymethyl)pyridine23579-92-237 % similar

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

Same formula

3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diol2417-04-1 1,2-Bis(3′-methylphenoxy)ethane54914-85-1 Bisphenol B77-40-7

Elsewhere

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