2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene

C15H19Cl — CID 154158818

IUPAC2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H19Cl/c1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12/h8-10,12H,1,3-7H2,2H3
InChIKeyIBSGDFLOGQENKA-UHFFFAOYSA-N
MW234.77 g/mol
LogP5.42
Rot. Bonds2

About 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene

2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene (PubChem CID 154158818) has the molecular formula C15H19Cl and a molecular weight of 234.77 g/mol. Its IUPAC name is 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene
PubChem CID154158818
Molecular FormulaC15H19Cl
Molecular Weight234.77 g/mol
Exact Mass234.12
IUPAC Name2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H19Cl/c1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12/h8-10,12H,1,3-7H2,2H3
InChIKeyIBSGDFLOGQENKA-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.77
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene 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

4-bromo-2-chloro-1-cyclohexylbenzene
CID 158332061
2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene
CID 18962081
2-(3-chloro-4-cyclopropylphenyl)-2-oxoacetic acid
CID 117322520
1-(4-cyclohexyl-3-hydroxyphenyl)ethanone
CID 53423517
2-acetylsulfanyl-2-(3-chloro-4-cyclohexylphenyl)acetic acid
CID 54488242
[3-acetyloxy-2-(3-chloro-4-cyclohexylphenyl)propyl] acetate
CID 70611262
methyl 2-(3-chloro-4-cyclohexylphenyl)oxirane-2-carboxylate
CID 88774912
3-(3-chloro-4-cyclohexylphenyl)-3-methylbutanoic acid
CID 117475530
3-(3-chloro-4-cyclohexylphenyl)butanoic acid
CID 21450402
1-[3-chloro-4-(thiolan-3-yl)phenyl]ethanone
CID 84702269
2-(3-chloro-4-cyclohexylbenzoyl)-2-[(cyclohexylamino)methyl]-1,3-dioxolane-4,5-dione
CID 139712542
2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine
CID 117445362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene (CID 154158818) is 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene?
The InChIKey is IBSGDFLOGQENKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl/c1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12/h8-10,12H,1,3-7H2,2H3.
What are the key properties of 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene?
2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene has a molecular weight of 234.77 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 154158818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).