[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate

C24H36O2 — CID 70598371

IUPAC[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate
SMILESCCCC1CCC(c2ccc(OC(=O)C3CCC(CC)CC3)cc2)CC1
InChIInChI=1S/C24H36O2/c1-3-5-19-8-10-20(11-9-19)21-14-16-23(17-15-21)26-24(25)22-12-6-18(4-2)7-13-22/h14-20,22H,3-13H2,1-2H3
InChIKeyJKXFNANRAYLPAH-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.88
Rot. Bonds6

About [4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate

[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate (PubChem CID 70598371) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is [4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate
PubChem CID70598371
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate
SMILESCCCC1CCC(c2ccc(OC(=O)C3CCC(CC)CC3)cc2)CC1
InChIInChI=1S/C24H36O2/c1-3-5-19-8-10-20(11-9-19)21-14-16-23(17-15-21)26-24(25)22-12-6-18(4-2)7-13-22/h14-20,22H,3-13H2,1-2H3
InChIKeyJKXFNANRAYLPAH-UHFFFAOYSA-N
XLogP6.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-ethylcyclohexyl)phenyl] 4-hexylcyclohexane-1-carboxylate
CID 23334605
[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl] 4-hexylcyclohexane-1-carboxylate
CID 59931518
[4-(4-methylcyclohexyl)phenyl] 4-butylcyclohexane-1-carboxylate
CID 23334749
[4-(4-formylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 174302537
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
CID 170898859
(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate
CID 170842223
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 23335039
[4-(4-ethylcyclohexyl)phenyl] butanoate
CID 172759625
[4-(difluoromethoxy)phenyl] 4-propylcyclohexane-1-carboxylate
CID 19436452
phenyl 4-ethylcyclohexane-1-carboxylate
CID 53401345

Frequently Asked Questions

What is the IUPAC name of [4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate?
The IUPAC name of [4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate (CID 70598371) is [4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate.
What is the SMILES notation for [4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate?
The canonical SMILES for [4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate is CCCC1CCC(c2ccc(OC(=O)C3CCC(CC)CC3)cc2)CC1.
What is the InChIKey of [4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate?
The InChIKey is JKXFNANRAYLPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2/c1-3-5-19-8-10-20(11-9-19)21-14-16-23(17-15-21)26-24(25)22-12-6-18(4-2)7-13-22/h14-20,22H,3-13H2,1-2H3.
What are the key properties of [4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate?
[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate has a molecular weight of 356.55 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate is sourced from PubChem (CID 70598371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).