3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one

C13H15BrO — CID 64910250

IUPAC3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1Cc1cccc(Br)c1
InChIInChI=1S/C13H15BrO/c1-9-11(5-6-13(9)15)7-10-3-2-4-12(14)8-10/h2-4,8-9,11H,5-7H2,1H3
InChIKeyJTLYRFCNWXQUNO-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.61
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one

3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one (PubChem CID 64910250) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one
PubChem CID64910250
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1Cc1cccc(Br)c1
InChIInChI=1S/C13H15BrO/c1-9-11(5-6-13(9)15)7-10-3-2-4-12(14)8-10/h2-4,8-9,11H,5-7H2,1H3
InChIKeyJTLYRFCNWXQUNO-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene
CID 64910118
1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 59017825
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
1-bromo-3-(cyclopropylsulfonylmethyl)benzene
CID 163343010
3-[(3-bromophenyl)methyl]cycloheptan-1-one
CID 64503625
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one
CID 62035173
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031502
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81035109
1-bromo-3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459699
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-one
CID 64906761
2-[(3-bromophenyl)methylsulfonyl]-1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]ethanone
CID 124589919

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one?
The IUPAC name of 3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one (CID 64910250) is 3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one is CC1C(=O)CCC1Cc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one?
The InChIKey is JTLYRFCNWXQUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-9-11(5-6-13(9)15)7-10-3-2-4-12(14)8-10/h2-4,8-9,11H,5-7H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one?
3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one has a molecular weight of 267.17 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one is sourced from PubChem (CID 64910250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).