1-bromo-4-(2-chlorobutyl)benzene

C10H12BrCl — CID 18417634

IUPAC1-bromo-4-(2-chlorobutyl)benzene
SMILESCCC(Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C10H12BrCl/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeyGGDYDYRLGSMEMQ-UHFFFAOYSA-N
MW247.56 g/mol
LogP4.01
Rot. Bonds3

About 1-bromo-4-(2-chlorobutyl)benzene

1-bromo-4-(2-chlorobutyl)benzene (PubChem CID 18417634) has the molecular formula C10H12BrCl and a molecular weight of 247.56 g/mol. Its IUPAC name is 1-bromo-4-(2-chlorobutyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-chlorobutyl)benzene
PubChem CID18417634
Molecular FormulaC10H12BrCl
Molecular Weight247.56 g/mol
Exact Mass245.98
IUPAC Name1-bromo-4-(2-chlorobutyl)benzene
SMILESCCC(Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C10H12BrCl/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeyGGDYDYRLGSMEMQ-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.56
LogP ≤ 54.01
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-4-(2,3-dichloropropyl)benzene
CID 86177885
4-(2-chlorobutyl)benzoic acid
CID 82161732
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
2-[4-(4-bromophenyl)-3-chlorobutyl]furan
CID 63519888
1-bromo-4-(1-chloropropyl)benzene
CID 43114960
1-bromo-4-(2,2-dimethoxyethyl)benzene
CID 11550515
2-(2-chlorobutyl)naphthalene
CID 21490588
3-(4-bromophenyl)-2-chloropropanal
CID 62394635
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
1-bromo-4-ethylbenzene
CID 15313
2-[2-(4-bromophenyl)-1-chloroethyl]-5-ethylfuran
CID 79084046

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-chlorobutyl)benzene?
The IUPAC name of 1-bromo-4-(2-chlorobutyl)benzene (CID 18417634) is 1-bromo-4-(2-chlorobutyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-chlorobutyl)benzene?
The canonical SMILES for 1-bromo-4-(2-chlorobutyl)benzene is CCC(Cl)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-chlorobutyl)benzene?
The InChIKey is GGDYDYRLGSMEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6,10H,2,7H2,1H3.
What are the key properties of 1-bromo-4-(2-chlorobutyl)benzene?
1-bromo-4-(2-chlorobutyl)benzene has a molecular weight of 247.56 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-chlorobutyl)benzene is sourced from PubChem (CID 18417634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).