(3-bromo-2-methylcyclopentyl)methylbenzene

C13H17Br — CID 64907307

IUPAC(3-bromo-2-methylcyclopentyl)methylbenzene
SMILESCC1C(Br)CCC1Cc1ccccc1
InChIInChI=1S/C13H17Br/c1-10-12(7-8-13(10)14)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyBUDFDOKOAAIFFS-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.04
Rot. Bonds2

About (3-bromo-2-methylcyclopentyl)methylbenzene

(3-bromo-2-methylcyclopentyl)methylbenzene (PubChem CID 64907307) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is (3-bromo-2-methylcyclopentyl)methylbenzene.

Molecular Properties

Compound Name(3-bromo-2-methylcyclopentyl)methylbenzene
PubChem CID64907307
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name(3-bromo-2-methylcyclopentyl)methylbenzene
SMILESCC1C(Br)CCC1Cc1ccccc1
InChIInChI=1S/C13H17Br/c1-10-12(7-8-13(10)14)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyBUDFDOKOAAIFFS-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene
CID 64909251
1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene
CID 64907962
2-[(3-bromo-2-methylcyclopentyl)methyl]-1-chloro-3-fluorobenzene
CID 64909046
(1R,2S,4S,5S)-2-benzyl-4,5-dibromocyclohexane-1-carboxylic acid
CID 98246158
(1S,2R,5R)-2-benzylbicyclo[3.1.0]hexane
CID 158080473
(2,3,4-trimethylcyclobutyl)methylbenzene
CID 90929124
(5R)-4-benzyl-5-methylpyrrolidin-2-one
CID 154981425
2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 64908394
3-benzyl-1,4-dimethylpiperidine
CID 68972702
(3-benzyl-2-ethylcyclopentyl)benzene
CID 165353387
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
cyclopropylmethylbenzene;ethane;methane
CID 142248267

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylcyclopentyl)methylbenzene?
The IUPAC name of (3-bromo-2-methylcyclopentyl)methylbenzene (CID 64907307) is (3-bromo-2-methylcyclopentyl)methylbenzene.
What is the SMILES notation for (3-bromo-2-methylcyclopentyl)methylbenzene?
The canonical SMILES for (3-bromo-2-methylcyclopentyl)methylbenzene is CC1C(Br)CCC1Cc1ccccc1.
What is the InChIKey of (3-bromo-2-methylcyclopentyl)methylbenzene?
The InChIKey is BUDFDOKOAAIFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c1-10-12(7-8-13(10)14)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3.
What are the key properties of (3-bromo-2-methylcyclopentyl)methylbenzene?
(3-bromo-2-methylcyclopentyl)methylbenzene has a molecular weight of 253.18 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylcyclopentyl)methylbenzene is sourced from PubChem (CID 64907307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).