1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene

C14H18BrCl — CID 63542179

IUPAC1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene
SMILESClC(Cc1cccc(Br)c1)CC1CCCC1
InChIInChI=1S/C14H18BrCl/c15-13-7-3-6-12(8-13)10-14(16)9-11-4-1-2-5-11/h3,6-8,11,14H,1-2,4-5,9-10H2
InChIKeyDQBBYSTWMIKAKP-UHFFFAOYSA-N
MW301.65 g/mol
LogP5.18
Rot. Bonds4

About 1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene

1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene (PubChem CID 63542179) has the molecular formula C14H18BrCl and a molecular weight of 301.65 g/mol. Its IUPAC name is 1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene
PubChem CID63542179
Molecular FormulaC14H18BrCl
Molecular Weight301.65 g/mol
Exact Mass300.03
IUPAC Name1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene
SMILESClC(Cc1cccc(Br)c1)CC1CCCC1
InChIInChI=1S/C14H18BrCl/c15-13-7-3-6-12(8-13)10-14(16)9-11-4-1-2-5-11/h3,6-8,11,14H,1-2,4-5,9-10H2
InChIKeyDQBBYSTWMIKAKP-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.65
LogP ≤ 55.18
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-bromophenyl)-3-cycloheptylpropan-2-amine
CID 114458146
1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63543352
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
4-[2-(3-bromophenyl)-1-chloroethyl]oxane
CID 63016306
[2-(3-bromophenyl)-1-cyclobutylethyl]hydrazine
CID 105202856
1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183607
3-[2-(3-bromophenyl)-1-chloroethyl]oxane
CID 63014760
1-bromo-3-(2-chloro-4-phenylbutyl)benzene
CID 55222563
1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
CID 63530757
2-(3-bromophenyl)-3-cyclopentylpropan-1-ol
CID 79443530
1-(3-bromophenyl)-3-(thian-4-yl)propan-2-amine
CID 105089697

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene?
The IUPAC name of 1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene (CID 63542179) is 1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene.
What is the SMILES notation for 1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene?
The canonical SMILES for 1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene is ClC(Cc1cccc(Br)c1)CC1CCCC1.
What is the InChIKey of 1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene?
The InChIKey is DQBBYSTWMIKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl/c15-13-7-3-6-12(8-13)10-14(16)9-11-4-1-2-5-11/h3,6-8,11,14H,1-2,4-5,9-10H2.
What are the key properties of 1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene?
1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene has a molecular weight of 301.65 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene is sourced from PubChem (CID 63542179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).