4,4′-(1,3-Dimethylbutylidene)bis[phenol]

C₁₈H₂₂O₂CAS 6807-17-6270.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₂₂O₂
Molar mass: 270.37 g/mol
Exact mass: 270.1620 Da
Melting point: 150 °C
logP: 4.45Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H319 Causes serious eye irritationSerious eye damage/eye irritation
H360F *** May damage fertilityReproductive toxicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 604-024-00-8), via PubChem.

Precautionary statements

P203, P264+P265, P273, P280, P305+P351+P338, P318, P337+P317, P391, P405, P501

Identifiers

CAS number

6807-17-6

SMILES

CC(C)CC(C)(c1ccc(O)cc1)c1ccc(O)cc1

InChIKey

VHLLJTHDWPAQEM-UHFFFAOYSA-N

InChI

InChI=1S/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3

Weigh it out

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

Names and synonyms

11 names

Phenol, 4,4′-(1,3-dimethylbutylidene)bis-
Phenol, 4,4′-(1,3-dimethylbutylidene)di-
2,2-Bis(4-hydroxyphenyl)-4-methylpentane
2,2-(4-Hydroxyphenyl)-4-methylpentane
NSC 73727
Bis MIBK
4,4′-(1,3-Dimethylbutylidene)bisphenol
2,2-Bis(4′-hydroxyphenyl)-4-methylpentane
BisP-MIBK
Bisphenol MIBK
4,4'-(4-Methylpentane-2,2-diyl)diphenol

Work with 4,4′-(1,3-Dimethylbutylidene)bis[phenol]

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

Bisphenol B77-40-758 % similar Tris(4-hydroxyphenyl)ethane27955-94-847 % similar Bisphenol A80-05-747 % similar 4-tert-Butylphenol98-54-447 % similar Diphenolic acid126-00-146 % similar 4-(1-Adamantyl)phenol29799-07-344 % similar 4-tert-Pentylphenol80-46-644 % similar 4-tert-Octylphenol140-66-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Trenbolone10161-33-8 Estra-4,9-diene-3,17-dione5173-46-6 Estrone53-16-7 Dicumyl peroxide80-43-3 Hexestrol84-16-2

Elsewhere

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