4-(2-bromophenyl)phenol

C12H9BrO — CID 28911485

IUPAC4-(2-bromophenyl)phenol
SMILESOc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C12H9BrO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-8,14H
InChIKeyXESUCEJPGYWGSK-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.82
Rot. Bonds1

About 4-(2-bromophenyl)phenol

4-(2-bromophenyl)phenol (PubChem CID 28911485) has the molecular formula C12H9BrO and a molecular weight of 249.11 g/mol. Its IUPAC name is 4-(2-bromophenyl)phenol.

Molecular Properties

Compound Name4-(2-bromophenyl)phenol
PubChem CID28911485
Molecular FormulaC12H9BrO
Molecular Weight249.11 g/mol
Exact Mass247.98
IUPAC Name4-(2-bromophenyl)phenol
SMILESOc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C12H9BrO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-8,14H
InChIKeyXESUCEJPGYWGSK-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(4-hydroxyphenyl)methane
CID 12111
4-Cumylphenol
CID 11742
Tetrabromobisphenol A
CID 6618
4,4'-Dihydroxybiphenyl
CID 7112
4-Hydroxybiphenyl
CID 7103
4-Benzylphenol
CID 7563
4-Cyclohexylphenol
CID 14327
Bisphenol E
CID 608116
Tribromobisphenol A
CID 80801
4-(1-Phenylethyl)phenol
CID 94763
1-Bromo-2-naphthol
CID 11316
3-Phenylphenol
CID 11381

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)phenol?
The IUPAC name of 4-(2-bromophenyl)phenol (CID 28911485) is 4-(2-bromophenyl)phenol.
What is the SMILES notation for 4-(2-bromophenyl)phenol?
The canonical SMILES for 4-(2-bromophenyl)phenol is Oc1ccc(-c2ccccc2Br)cc1.
What is the InChIKey of 4-(2-bromophenyl)phenol?
The InChIKey is XESUCEJPGYWGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-8,14H.
What are the key properties of 4-(2-bromophenyl)phenol?
4-(2-bromophenyl)phenol has a molecular weight of 249.11 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)phenol is sourced from PubChem (CID 28911485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).