1-chloro-4-[(E)-oct-1-enyl]benzene

C14H19Cl — CID 11160395

IUPAC1-chloro-4-[(E)-oct-1-enyl]benzene
SMILESCCCCCC/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H19Cl/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h7-12H,2-6H2,1H3/b8-7+
InChIKeyOEWOGKSWXOZEBH-BQYQJAHWSA-N
MW222.76 g/mol
LogP5.32
Rot. Bonds6

About 1-chloro-4-[(E)-oct-1-enyl]benzene

1-chloro-4-[(E)-oct-1-enyl]benzene (PubChem CID 11160395) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-chloro-4-[(E)-oct-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-oct-1-enyl]benzene
PubChem CID11160395
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-chloro-4-[(E)-oct-1-enyl]benzene
SMILESCCCCCC/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H19Cl/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h7-12H,2-6H2,1H3/b8-7+
InChIKeyOEWOGKSWXOZEBH-BQYQJAHWSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.76
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-4-[(E)-oct-1-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

P,P'-dde
CID 3035
4-Chlorotoluene
CID 7810
2,4-Dichlorotoluene
CID 7254
1-Chloro-4-(trifluoromethyl)benzene
CID 7394
2-Chlorotoluene
CID 7238
3-Chlorotoluene
CID 7931
2-Chlorostyrene
CID 14906
Benzene, 1,2-dichloro-4-methyl-
CID 7256
4-Chlorobiphenyl
CID 16323
2,4'-Dichlorobiphenyl
CID 36982
1-Chloro-4-(chloromethyl)benzene
CID 7723
4-Chlorostyrene
CID 14085

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-oct-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-oct-1-enyl]benzene (CID 11160395) is 1-chloro-4-[(E)-oct-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-oct-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-oct-1-enyl]benzene is CCCCCC/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-oct-1-enyl]benzene?
The InChIKey is OEWOGKSWXOZEBH-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H19Cl/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h7-12H,2-6H2,1H3/b8-7+.
What are the key properties of 1-chloro-4-[(E)-oct-1-enyl]benzene?
1-chloro-4-[(E)-oct-1-enyl]benzene has a molecular weight of 222.76 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-oct-1-enyl]benzene is sourced from PubChem (CID 11160395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).