2-bromo-4-phenylphenol

C12H9BrO — CID 27297

IUPAC2-bromo-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C12H9BrO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
InChIKeyDZGMMVYPLBTLRQ-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.82
Rot. Bonds1

About 2-bromo-4-phenylphenol

2-bromo-4-phenylphenol (PubChem CID 27297) has the molecular formula C12H9BrO and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-bromo-4-phenylphenol.

Molecular Properties

Compound Name2-bromo-4-phenylphenol
PubChem CID27297
Molecular FormulaC12H9BrO
Molecular Weight249.11 g/mol
Exact Mass247.98
IUPAC Name2-bromo-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C12H9BrO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
InChIKeyDZGMMVYPLBTLRQ-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

Tetrabromobisphenol A
CID 6618
4,4'-Dihydroxybiphenyl
CID 7112
4-Hydroxybiphenyl
CID 7103
4-Benzylphenol
CID 7563
Tribromobisphenol A
CID 80801
4-(1-Phenylethyl)phenol
CID 94763
1-Bromo-2-naphthol
CID 11316
6-Bromo-2-naphthalenol
CID 27144
2-Naphthol, 1,6-dibromo-
CID 27768
2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl
CID 30891
2-Bromo-4-methylphenol
CID 23109
2,6-Dibromo-4-phenylphenol
CID 243556

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-phenylphenol?
The IUPAC name of 2-bromo-4-phenylphenol (CID 27297) is 2-bromo-4-phenylphenol.
What is the SMILES notation for 2-bromo-4-phenylphenol?
The canonical SMILES for 2-bromo-4-phenylphenol is Oc1ccc(-c2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-4-phenylphenol?
The InChIKey is DZGMMVYPLBTLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 2-bromo-4-phenylphenol?
2-bromo-4-phenylphenol 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 2-bromo-4-phenylphenol is sourced from PubChem (CID 27297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).