1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene

C12H14Cl2 — CID 83924962

IUPAC1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene
SMILESC/C=C\CC(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2/c1-3-4-6-9(2)12-10(13)7-5-8-11(12)14/h3-5,7-9H,6H2,1-2H3/b4-3-
InChIKeyLQBGMLXDLGRUCU-ARJAWSKDSA-N
MW229.15 g/mol
LogP5.06
Rot. Bonds3

About 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene

1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene (PubChem CID 83924962) has the molecular formula C12H14Cl2 and a molecular weight of 229.15 g/mol. Its IUPAC name is 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene
PubChem CID83924962
Molecular FormulaC12H14Cl2
Molecular Weight229.15 g/mol
Exact Mass228.05
IUPAC Name1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene
SMILESC/C=C\CC(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2/c1-3-4-6-9(2)12-10(13)7-5-8-11(12)14/h3-5,7-9H,6H2,1-2H3/b4-3-
InChIKeyLQBGMLXDLGRUCU-ARJAWSKDSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.15
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]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

1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83925405
1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene
CID 83925287
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
4-(2,6-dichlorophenyl)pentan-1-amine
CID 83924946
ethyl 3-(2,6-dichlorophenyl)butanoate
CID 145081083
1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene
CID 83943646
1-ethoxy-4-[(Z)-hex-4-en-2-yl]benzene
CID 83932237
4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile
CID 149200871
2-ethoxy-6-[(Z)-hex-4-en-2-yl]phenol
CID 83930787
4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide
CID 120562053
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
2-amino-N-[2-(2,6-dichlorophenyl)propyl]acetamide
CID 119315000

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene?
The IUPAC name of 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene (CID 83924962) is 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene is C/C=C\CC(C)c1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene?
The InChIKey is LQBGMLXDLGRUCU-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H14Cl2/c1-3-4-6-9(2)12-10(13)7-5-8-11(12)14/h3-5,7-9H,6H2,1-2H3/b4-3-.
What are the key properties of 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene?
1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene has a molecular weight of 229.15 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene is sourced from PubChem (CID 83924962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).