1-(4-bromo-3-methylbutyl)-4-chlorobenzene

C11H14BrCl — CID 64673348

IUPAC1-(4-bromo-3-methylbutyl)-4-chlorobenzene
SMILESCC(CBr)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H14BrCl/c1-9(8-12)2-3-10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3
InChIKeyCZUDMSUWTYIOMU-UHFFFAOYSA-N
MW261.59 g/mol
LogP4.30
Rot. Bonds4

About 1-(4-bromo-3-methylbutyl)-4-chlorobenzene

1-(4-bromo-3-methylbutyl)-4-chlorobenzene (PubChem CID 64673348) has the molecular formula C11H14BrCl and a molecular weight of 261.59 g/mol. Its IUPAC name is 1-(4-bromo-3-methylbutyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(4-bromo-3-methylbutyl)-4-chlorobenzene
PubChem CID64673348
Molecular FormulaC11H14BrCl
Molecular Weight261.59 g/mol
Exact Mass260.00
IUPAC Name1-(4-bromo-3-methylbutyl)-4-chlorobenzene
SMILESCC(CBr)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H14BrCl/c1-9(8-12)2-3-10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3
InChIKeyCZUDMSUWTYIOMU-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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

4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene
CID 103041716
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
1-(3-bromopentyl)-4-chlorobenzene
CID 63470473
1-(3-bromo-4,4-dimethylpentyl)-4-chlorobenzene
CID 63470847
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
4-(4-chlorophenyl)-1-methoxybutan-2-amine
CID 62321130
1-amino-3-(4-chlorophenyl)propan-1-ol
CID 68900643
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
1,4-bis[(3S)-3-bromobutyl]benzene
CID 95239997
1-[2-(bromomethyl)-6-methylheptyl]-4-chlorobenzene
CID 83168156

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylbutyl)-4-chlorobenzene?
The IUPAC name of 1-(4-bromo-3-methylbutyl)-4-chlorobenzene (CID 64673348) is 1-(4-bromo-3-methylbutyl)-4-chlorobenzene.
What is the SMILES notation for 1-(4-bromo-3-methylbutyl)-4-chlorobenzene?
The canonical SMILES for 1-(4-bromo-3-methylbutyl)-4-chlorobenzene is CC(CBr)CCc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-bromo-3-methylbutyl)-4-chlorobenzene?
The InChIKey is CZUDMSUWTYIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl/c1-9(8-12)2-3-10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-(4-bromo-3-methylbutyl)-4-chlorobenzene?
1-(4-bromo-3-methylbutyl)-4-chlorobenzene has a molecular weight of 261.59 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylbutyl)-4-chlorobenzene is sourced from PubChem (CID 64673348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).