(3-bromo-4-methylphenyl)-cyclopentylmethanone

C13H15BrO — CID 82122935

IUPAC(3-bromo-4-methylphenyl)-cyclopentylmethanone
SMILESCc1ccc(C(=O)C2CCCC2)cc1Br
InChIInChI=1S/C13H15BrO/c1-9-6-7-11(8-12(9)14)13(15)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyGNWQEJDGUNWYBL-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.13
Rot. Bonds2

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

(3-bromo-4-methylphenyl)-cyclopentylmethanone (PubChem CID 82122935) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-cyclopentylmethanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-cyclopentylmethanone
PubChem CID82122935
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name(3-bromo-4-methylphenyl)-cyclopentylmethanone
SMILESCc1ccc(C(=O)C2CCCC2)cc1Br
InChIInChI=1S/C13H15BrO/c1-9-6-7-11(8-12(9)14)13(15)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyGNWQEJDGUNWYBL-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3-methylphenyl)-cyclobutylmethanone
CID 115811405
(3-bromo-4-hydroxyphenyl)-cyclopentylmethanone
CID 12943328
(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
CID 114329532
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
(4-bromo-3-methylphenyl)-piperidin-4-ylmethanone
CID 82553719
cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 175669825
(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone
CID 114329540
N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 1013445
(2S)-1-(3-bromo-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 81472429
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-cyclopentylmethanone?
The IUPAC name of (3-bromo-4-methylphenyl)-cyclopentylmethanone (CID 82122935) is (3-bromo-4-methylphenyl)-cyclopentylmethanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-cyclopentylmethanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-cyclopentylmethanone is Cc1ccc(C(=O)C2CCCC2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-cyclopentylmethanone?
The InChIKey is GNWQEJDGUNWYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-9-6-7-11(8-12(9)14)13(15)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-cyclopentylmethanone?
(3-bromo-4-methylphenyl)-cyclopentylmethanone has a molecular weight of 267.17 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-cyclopentylmethanone is sourced from PubChem (CID 82122935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).