5-(3,4-Dichlorophenyl)-3-methylphenol

HCID 53219085

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Basic information

CAS: 1261949-05-6
Standard SMILES: Cc1cc(O)cc(-c2ccc(Cl)c(Cl)c2)c1
InChIKey: XXXOKCHSHMTIAK-UHFFFAOYSA-N
Molecular formula: C13H10Cl2O
Average molar mass: 253.12 g/mol
Monoisotopic mass: 252.0108703

Names & identifiers

Preferred name: 5-(3,4-Dichlorophenyl)-3-methylphenol
IUPAC: 3-(3,4-dichlorophenyl)-5-methylphenol

Names & synonyms

1261949-05-6MFCD183133923-(3,4-dichlorophenyl)-5-methylphenol5-(3,4-DICHLOROPHENYL)-3-METHYLPHENOLDTXSID306839613-(3,4-dichlorophenyl)-5-methyl-phenol5-(3,4-Dichlorophenyl)-3-methylphenol, 95%3',4'-Dichloro-5-methyl[1,1'-biphenyl]-3-ol3',4'-Dichloro-5-methyl-[1,1'-biphenyl]-3-olA1-113173

Database identifiers

CAS: 1261949-05-6
PubChem CID: 53219085
DTXSID: DTXSID30683961

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 234

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