Bisphenol B

C₁₆H₁₈O₂CAS 77-40-7242.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₈O₂
Molar mass: 242.32 g/mol
Exact mass: 242.1307 Da
Melting point: 120.5 °C
Boiling point: 204–207 °C (at 5 Torr)
logP: 3.81Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

77-40-7

SMILES

CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1

InChIKey

HTVITOHKHWFJKO-UHFFFAOYSA-N

InChI

InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3

Weigh it out

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

Names and synonyms

12 names

Phenol, 4,4′-(1-methylpropylidene)bis-
Phenol, 4,4′-sec-butylidenedi-
4,4′-(1-Methylpropylidene)bis[phenol]
2,2-Bis(p-hydroxyphenyl)butane
2,2-Bis(4-hydroxyphenyl)butane
Bis(4-hydroxyphenyl)methylethylmethane
p,p′-sec-Butylidenediphenol
4,4′-sec-Butylidenediphenol
p,p′-Dihydroxy-2,2-diphenylbutane
4,4′-Dihydroxy-2,2-diphenylbutane
Butane, 2,2-bis(4-hydroxyphenyl)-
NSC 1775

Work with Bisphenol B

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-tert-Pentylphenol80-46-664 % similar 4,4′-(1,3-Dimethylbutylidene)bis[phenol]6807-17-658 % similar Tris(4-hydroxyphenyl)ethane27955-94-852 % similar Bisphenol A80-05-752 % similar 4-tert-Butylphenol98-54-452 % similar Diphenolic acid126-00-150 % similar 4-tert-Octylphenol140-66-947 % similar 4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis[phenol]110726-28-845 % 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 4,4′-Bis(methoxymethyl)-1,1′-biphenyl3753-18-2 1,2-Bis(3′-methylphenoxy)ethane54914-85-1

Elsewhere

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