1-bromo-4-(2-chloroprop-2-enyl)benzene

C9H8BrCl — CID 24721716

IUPAC1-bromo-4-(2-chloroprop-2-enyl)benzene
SMILESC=C(Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C9H8BrCl/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,1,6H2
InChIKeyPMGYVIRDWUKCSH-UHFFFAOYSA-N
MW231.52 g/mol
LogP3.74
Rot. Bonds2

About 1-bromo-4-(2-chloroprop-2-enyl)benzene

1-bromo-4-(2-chloroprop-2-enyl)benzene (PubChem CID 24721716) has the molecular formula C9H8BrCl and a molecular weight of 231.52 g/mol. Its IUPAC name is 1-bromo-4-(2-chloroprop-2-enyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-chloroprop-2-enyl)benzene
PubChem CID24721716
Molecular FormulaC9H8BrCl
Molecular Weight231.52 g/mol
Exact Mass229.95
IUPAC Name1-bromo-4-(2-chloroprop-2-enyl)benzene
SMILESC=C(Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C9H8BrCl/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,1,6H2
InChIKeyPMGYVIRDWUKCSH-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.52
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-(2-chloroprop-2-enyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride
CID 59255304
3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride
CID 117266598
N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine
CID 88781630
2-(4-bromophenyl)acetic acid;2-(4-bromophenyl)acetyl chloride
CID 87964783
1-bromo-4-(2-isocyanatoprop-2-enyl)benzene
CID 117267227
2-bromo-5-(2-chloroprop-2-enyl)thiophene
CID 24722149
(Z)-2,3-bis[(4-bromophenyl)methyl]but-2-enedioic acid
CID 19009870
3-(4-bromophenyl)-2-oxopropanoic acid
CID 598758
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819
1-bromo-4-[2-(isocyanatomethyl)prop-2-enyl]benzene
CID 117268948
3-(4-bromophenyl)-1-chloro-1,1-difluoropropan-2-one
CID 112574585
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-chloroprop-2-enyl)benzene?
The IUPAC name of 1-bromo-4-(2-chloroprop-2-enyl)benzene (CID 24721716) is 1-bromo-4-(2-chloroprop-2-enyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-chloroprop-2-enyl)benzene?
The canonical SMILES for 1-bromo-4-(2-chloroprop-2-enyl)benzene is C=C(Cl)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-chloroprop-2-enyl)benzene?
The InChIKey is PMGYVIRDWUKCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,1,6H2.
What are the key properties of 1-bromo-4-(2-chloroprop-2-enyl)benzene?
1-bromo-4-(2-chloroprop-2-enyl)benzene has a molecular weight of 231.52 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-chloroprop-2-enyl)benzene is sourced from PubChem (CID 24721716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).