1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene

C13H16BrCl — CID 64910118

IUPAC1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene
SMILESCC1C(Cl)CCC1Cc1cccc(Br)c1
InChIInChI=1S/C13H16BrCl/c1-9-11(5-6-13(9)15)7-10-3-2-4-12(14)8-10/h2-4,8-9,11,13H,5-7H2,1H3
InChIKeyGVRUZKABFSTSFE-UHFFFAOYSA-N
MW287.63 g/mol
LogP4.65
Rot. Bonds2

About 1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene

1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene (PubChem CID 64910118) has the molecular formula C13H16BrCl and a molecular weight of 287.63 g/mol. Its IUPAC name is 1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene
PubChem CID64910118
Molecular FormulaC13H16BrCl
Molecular Weight287.63 g/mol
Exact Mass286.01
IUPAC Name1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene
SMILESCC1C(Cl)CCC1Cc1cccc(Br)c1
InChIInChI=1S/C13H16BrCl/c1-9-11(5-6-13(9)15)7-10-3-2-4-12(14)8-10/h2-4,8-9,11,13H,5-7H2,1H3
InChIKeyGVRUZKABFSTSFE-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.63
LogP ≤ 54.65
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-bromo-3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459699
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one
CID 64910250
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
(3-bromo-2-methylcyclopentyl)methylbenzene
CID 64907307
1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 106273167
3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine
CID 64909688
1-bromo-3-(cyclopropylsulfonylmethyl)benzene
CID 163343010
2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene
CID 64907534
1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 64908376

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene?
The IUPAC name of 1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene (CID 64910118) is 1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene.
What is the SMILES notation for 1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene?
The canonical SMILES for 1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene is CC1C(Cl)CCC1Cc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene?
The InChIKey is GVRUZKABFSTSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl/c1-9-11(5-6-13(9)15)7-10-3-2-4-12(14)8-10/h2-4,8-9,11,13H,5-7H2,1H3.
What are the key properties of 1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene?
1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene has a molecular weight of 287.63 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene is sourced from PubChem (CID 64910118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).