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

C19H29Cl — CID 64766355

IUPAC1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene
SMILESCCCc1ccc(C(C)(C)C2CCC(C)CC2Cl)cc1
InChIInChI=1S/C19H29Cl/c1-5-6-15-8-10-16(11-9-15)19(3,4)17-12-7-14(2)13-18(17)20/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyIWPQWFKDSGZYNJ-UHFFFAOYSA-N
MW292.89 g/mol
LogP5.96
Rot. Bonds4

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

1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene (PubChem CID 64766355) 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-propylbenzene.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene
PubChem CID64766355
Molecular FormulaC19H29Cl
Molecular Weight292.89 g/mol
Exact Mass292.20
IUPAC Name1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene
SMILESCCCc1ccc(C(C)(C)C2CCC(C)CC2Cl)cc1
InChIInChI=1S/C19H29Cl/c1-5-6-15-8-10-16(11-9-15)19(3,4)17-12-7-14(2)13-18(17)20/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyIWPQWFKDSGZYNJ-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.89
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propan-2-ylbenzene
CID 64767333
4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1,2-dimethylbenzene
CID 64767241
1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene
CID 64766883
4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole
CID 64767419
1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2,3,4-trifluorobenzene
CID 64766715
N-ethyl-5-methyl-2-[2-(4-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 64767391
1-tert-butyl-4-[(2-chloro-5-methylcyclohexyl)methyl]benzene
CID 63460957
1-(4-chloro-2-methylbutan-2-yl)-4-propylbenzene
CID 79837445
2-(2,4-dimethylcyclohexyl)propan-2-ylbenzene
CID 134857032
2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
CID 134964067
1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
CID 142147061
1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene
CID 178142508

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene?
The IUPAC name of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene (CID 64766355) is 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene.
What is the SMILES notation for 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene?
The canonical SMILES for 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene is CCCc1ccc(C(C)(C)C2CCC(C)CC2Cl)cc1.
What is the InChIKey of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene?
The InChIKey is IWPQWFKDSGZYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl/c1-5-6-15-8-10-16(11-9-15)19(3,4)17-12-7-14(2)13-18(17)20/h8-11,14,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene?
1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-4-propylbenzene has a molecular weight of 292.89 g/mol, XLogP of 5.96, 4 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-propylbenzene is sourced from PubChem (CID 64766355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).