1-(3-bromopentyl)-4-chlorobenzene

C11H14BrCl — CID 63470473

IUPAC1-(3-bromopentyl)-4-chlorobenzene
SMILESCCC(Br)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H14BrCl/c1-2-10(12)6-3-9-4-7-11(13)8-5-9/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyPSAGVAMRRHCQCL-UHFFFAOYSA-N
MW261.59 g/mol
LogP4.45
Rot. Bonds4

About 1-(3-bromopentyl)-4-chlorobenzene

1-(3-bromopentyl)-4-chlorobenzene (PubChem CID 63470473) has the molecular formula C11H14BrCl and a molecular weight of 261.59 g/mol. Its IUPAC name is 1-(3-bromopentyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(3-bromopentyl)-4-chlorobenzene
PubChem CID63470473
Molecular FormulaC11H14BrCl
Molecular Weight261.59 g/mol
Exact Mass260.00
IUPAC Name1-(3-bromopentyl)-4-chlorobenzene
SMILESCCC(Br)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H14BrCl/c1-2-10(12)6-3-9-4-7-11(13)8-5-9/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyPSAGVAMRRHCQCL-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.59
LogP ≤ 54.45
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-4,4-dimethylpentyl)-4-chlorobenzene
CID 63470847
4-(3-bromopentyl)-1,2-dimethylbenzene
CID 63472190
1-(4-bromo-3-methylbutyl)-4-chlorobenzene
CID 64673348
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
1-(3-bromo-3-phenylpropyl)-4-chlorobenzene
CID 63472364
1-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene
CID 63471892
1-(2-bromo-4-methylhexyl)-4-chlorobenzene
CID 114876742
1-amino-3-(4-chlorophenyl)propan-1-ol
CID 68900643
1-(2-bromo-3-methylpentyl)-4-chlorobenzene
CID 63543295
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
1,4-bis[(3S)-3-bromobutyl]benzene
CID 95239997

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopentyl)-4-chlorobenzene?
The IUPAC name of 1-(3-bromopentyl)-4-chlorobenzene (CID 63470473) is 1-(3-bromopentyl)-4-chlorobenzene.
What is the SMILES notation for 1-(3-bromopentyl)-4-chlorobenzene?
The canonical SMILES for 1-(3-bromopentyl)-4-chlorobenzene is CCC(Br)CCc1ccc(Cl)cc1.
What is the InChIKey of 1-(3-bromopentyl)-4-chlorobenzene?
The InChIKey is PSAGVAMRRHCQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl/c1-2-10(12)6-3-9-4-7-11(13)8-5-9/h4-5,7-8,10H,2-3,6H2,1H3.
What are the key properties of 1-(3-bromopentyl)-4-chlorobenzene?
1-(3-bromopentyl)-4-chlorobenzene has a molecular weight of 261.59 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopentyl)-4-chlorobenzene is sourced from PubChem (CID 63470473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).