4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene

C16H23Cl — CID 143316437

IUPAC4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene
SMILESC=C(C)C(CC(C)C)c1ccc(Cl)cc1CC
InChIInChI=1S/C16H23Cl/c1-6-13-10-14(17)7-8-15(13)16(12(4)5)9-11(2)3/h7-8,10-11,16H,4,6,9H2,1-3,5H3
InChIKeyDSZOVFIPYOXSHF-UHFFFAOYSA-N
MW250.81 g/mol
LogP5.61
Rot. Bonds5

About 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene

4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene (PubChem CID 143316437) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene.

Molecular Properties

Compound Name4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene
PubChem CID143316437
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene
SMILESC=C(C)C(CC(C)C)c1ccc(Cl)cc1CC
InChIInChI=1S/C16H23Cl/c1-6-13-10-14(17)7-8-15(13)16(12(4)5)9-11(2)3/h7-8,10-11,16H,4,6,9H2,1-3,5H3
InChIKeyDSZOVFIPYOXSHF-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.81
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene 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

2-(5-chloro-2-propan-2-ylphenyl)butanoic acid
CID 84800690
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
2-(5-chloro-2-methoxyphenyl)-4-methylpentanoic acid
CID 82089067
1-(1-tert-butylsulfinyl-3-methylbutan-2-yl)-4-chloro-2-ethylbenzene
CID 157358524
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene
CID 166154173
2-(2,4-dichlorophenyl)-4-methylpent-4-enoic acid
CID 84752989
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
2-(5-chloro-2-nitrophenyl)-4-methylpentanoic acid
CID 113428036
1-(4-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177275
1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 43492979
1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117322636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene?
The IUPAC name of 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene (CID 143316437) is 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene.
What is the SMILES notation for 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene?
The canonical SMILES for 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene is C=C(C)C(CC(C)C)c1ccc(Cl)cc1CC.
What is the InChIKey of 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene?
The InChIKey is DSZOVFIPYOXSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl/c1-6-13-10-14(17)7-8-15(13)16(12(4)5)9-11(2)3/h7-8,10-11,16H,4,6,9H2,1-3,5H3.
What are the key properties of 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene?
4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene has a molecular weight of 250.81 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,5-dimethylhex-1-en-3-yl)-2-ethylbenzene is sourced from PubChem (CID 143316437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).