1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone

C13H15BrO — CID 130609745

IUPAC1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2cc(Br)ccc2C)CC1
InChIInChI=1S/C13H15BrO/c1-9-3-4-12(14)7-11(9)8-13(5-6-13)10(2)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyBMHAILZUAWXXGV-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.67
Rot. Bonds3

About 1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone

1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone (PubChem CID 130609745) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone
PubChem CID130609745
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2cc(Br)ccc2C)CC1
InChIInChI=1S/C13H15BrO/c1-9-3-4-12(14)7-11(9)8-13(5-6-13)10(2)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyBMHAILZUAWXXGV-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(5-bromo-2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116928808
1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 66023748
1-(5-bromo-2-methylphenyl)-3-chloropropan-2-one
CID 130766659
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189906
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
1-[(5-bromo-2-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929246
1-(4-acetylpiperazin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
CID 110774438
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
CID 82293557
N-[(5-bromo-2-methylphenyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 115183329
1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 105375889
3-(5-bromo-2-methylphenyl)propanamide
CID 175640046
1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone
CID 106797011

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone (CID 130609745) is 1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone is CC(=O)C1(Cc2cc(Br)ccc2C)CC1.
What is the InChIKey of 1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone?
The InChIKey is BMHAILZUAWXXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-9-3-4-12(14)7-11(9)8-13(5-6-13)10(2)15/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone?
1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone has a molecular weight of 267.17 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-methylphenyl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 130609745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).