1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone

C10H9BrO3 — CID 89085878

IUPAC1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone
SMILESC=C(O)c1cc(Br)cc(C(C)=O)c1O
InChIInChI=1S/C10H9BrO3/c1-5(12)8-3-7(11)4-9(6(2)13)10(8)14/h3-4,12,14H,1H2,2H3
InChIKeyQTLMBZOIHXZHEF-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.89
Rot. Bonds2

About 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone

1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone (PubChem CID 89085878) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone
PubChem CID89085878
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone
SMILESC=C(O)c1cc(Br)cc(C(C)=O)c1O
InChIInChI=1S/C10H9BrO3/c1-5(12)8-3-7(11)4-9(6(2)13)10(8)14/h3-4,12,14H,1H2,2H3
InChIKeyQTLMBZOIHXZHEF-UHFFFAOYSA-N
XLogP2.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetyl-5-bromo-2-hydroxyphenyl)acetamide
CID 175187814
1-[5-bromo-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573374
3,5-dibromo-2-prop-1-en-2-ylbenzoic acid
CID 177194264
1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone
CID 71295421
1-(5-bromo-3,4-difluoro-2-hydroxyphenyl)ethanone
CID 83900439
2-methylprop-2-enoic acid;prop-2-enoic acid;2,4,6-tribromophenol
CID 158547601
1-(3-acetyl-2-hydroxy-5-methylphenyl)ethanone;dichloromethane
CID 159502600
1-(2-amino-5-bromo-3-methoxyphenyl)ethanone
CID 118922526
4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol
CID 89029788
1-[3,5-dibromo-2-(difluoromethyl)phenyl]ethanone
CID 171010149
2,5-dibromobenzene-1,3-dicarboxylic acid
CID 22572011
3-acetyl-2-hydroxy-5-methylbenzoyl chloride
CID 119092353

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone (CID 89085878) is 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone is C=C(O)c1cc(Br)cc(C(C)=O)c1O.
What is the InChIKey of 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone?
The InChIKey is QTLMBZOIHXZHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c1-5(12)8-3-7(11)4-9(6(2)13)10(8)14/h3-4,12,14H,1H2,2H3.
What are the key properties of 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone?
1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone has a molecular weight of 257.08 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone is sourced from PubChem (CID 89085878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).