(3-bromo-4-hydroxyphenyl)-cyclopentylmethanone

C12H13BrO2 — CID 12943328

IUPAC(3-bromo-4-hydroxyphenyl)-cyclopentylmethanone
SMILESO=C(c1ccc(O)c(Br)c1)C1CCCC1
InChIInChI=1S/C12H13BrO2/c13-10-7-9(5-6-11(10)14)12(15)8-3-1-2-4-8/h5-8,14H,1-4H2
InChIKeyFDUFPQUZACVRHV-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.53
Rot. Bonds2

About (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone

(3-bromo-4-hydroxyphenyl)-cyclopentylmethanone (PubChem CID 12943328) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone.

Molecular Properties

Compound Name(3-bromo-4-hydroxyphenyl)-cyclopentylmethanone
PubChem CID12943328
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name(3-bromo-4-hydroxyphenyl)-cyclopentylmethanone
SMILESO=C(c1ccc(O)c(Br)c1)C1CCCC1
InChIInChI=1S/C12H13BrO2/c13-10-7-9(5-6-11(10)14)12(15)8-3-1-2-4-8/h5-8,14H,1-4H2
InChIKeyFDUFPQUZACVRHV-UHFFFAOYSA-N
XLogP3.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone 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

(3-bromo-4-methylphenyl)-cyclopentylmethanone
CID 82122935
(4-bromo-3-methylphenyl)-cyclobutylmethanone
CID 115811405
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
cyclopentyl-(3,5-dibromophenyl)methanone
CID 107976355
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116612878
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
cyclopropyl-(4-hydroxy-3-phenylphenyl)methanone
CID 81252230
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
cyclohexyl-(3,4-ditert-butylphenyl)methanone
CID 86188783

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone?
The IUPAC name of (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone (CID 12943328) is (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone.
What is the SMILES notation for (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone?
The canonical SMILES for (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone is O=C(c1ccc(O)c(Br)c1)C1CCCC1.
What is the InChIKey of (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone?
The InChIKey is FDUFPQUZACVRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-10-7-9(5-6-11(10)14)12(15)8-3-1-2-4-8/h5-8,14H,1-4H2.
What are the key properties of (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone?
(3-bromo-4-hydroxyphenyl)-cyclopentylmethanone has a molecular weight of 269.14 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-hydroxyphenyl)-cyclopentylmethanone is sourced from PubChem (CID 12943328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).