1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone

C14H11BrO2 — CID 53221795

IUPAC1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(O)cc(Br)c2)cc1
InChIInChI=1S/C14H11BrO2/c1-9(16)10-2-4-11(5-3-10)12-6-13(15)8-14(17)7-12/h2-8,17H,1H3
InChIKeyAUFLCYCHXSPDSJ-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.02
Rot. Bonds2

About 1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone

1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone (PubChem CID 53221795) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone
PubChem CID53221795
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(O)cc(Br)c2)cc1
InChIInChI=1S/C14H11BrO2/c1-9(16)10-2-4-11(5-3-10)12-6-13(15)8-14(17)7-12/h2-8,17H,1H3
InChIKeyAUFLCYCHXSPDSJ-UHFFFAOYSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-[3-(4-bromophenyl)-5-hydroxyphenyl]methanone
CID 118691544
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
benzene;1-(4-bromophenyl)ethanone
CID 174710467
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone
CID 20641223
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone
CID 53221285
4-(3-hydroxy-5-methylphenyl)benzoic acid
CID 53218919

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone (CID 53221795) is 1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone is CC(=O)c1ccc(-c2cc(O)cc(Br)c2)cc1.
What is the InChIKey of 1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone?
The InChIKey is AUFLCYCHXSPDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c1-9(16)10-2-4-11(5-3-10)12-6-13(15)8-14(17)7-12/h2-8,17H,1H3.
What are the key properties of 1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone?
1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone has a molecular weight of 291.14 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone is sourced from PubChem (CID 53221795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).