1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene

C19H29Cl — CID 64767333

IUPAC1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene
SMILESCC1CCC(C(C)(C)c2ccc(C(C)C)cc2)C(Cl)C1
InChIInChI=1S/C19H29Cl/c1-13(2)15-7-9-16(10-8-15)19(4,5)17-11-6-14(3)12-18(17)20/h7-10,13-14,17-18H,6,11-12H2,1-5H3
InChIKeyNVWFPKGMMBNPGQ-UHFFFAOYSA-N
MW292.89 g/mol
LogP6.13
Rot. Bonds3

About 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene

1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene (PubChem CID 64767333) has the molecular formula C19H29Cl and a molecular weight of 292.89 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene
PubChem CID64767333
Molecular FormulaC19H29Cl
Molecular Weight292.89 g/mol
Exact Mass292.20
IUPAC Name1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene
SMILESCC1CCC(C(C)(C)c2ccc(C(C)C)cc2)C(Cl)C1
InChIInChI=1S/C19H29Cl/c1-13(2)15-7-9-16(10-8-15)19(4,5)17-11-6-14(3)12-18(17)20/h7-10,13-14,17-18H,6,11-12H2,1-5H3
InChIKeyNVWFPKGMMBNPGQ-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.89
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene (CID 64767333) is 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene is CC1CCC(C(C)(C)c2ccc(C(C)C)cc2)C(Cl)C1.
What is the InChIKey of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene?
The InChIKey is NVWFPKGMMBNPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl/c1-13(2)15-7-9-16(10-8-15)19(4,5)17-11-6-14(3)12-18(17)20/h7-10,13-14,17-18H,6,11-12H2,1-5H3.
What are the key properties of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene?
1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene has a molecular weight of 292.89 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene is sourced from PubChem (CID 64767333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).