(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate

C24H35FO2 — CID 170842223

IUPAC(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate
SMILESCCCC1CCC(CCC2CCC(C(=O)Oc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H35FO2/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)24(26)27-23-16-14-22(25)15-17-23/h14-21H,2-13H2,1H3
InChIKeyXAJLJTFHPXPHHW-UHFFFAOYSA-N
MW374.54 g/mol
LogP6.92
Rot. Bonds7

About (4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate

(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate (PubChem CID 170842223) has the molecular formula C24H35FO2 and a molecular weight of 374.54 g/mol. Its IUPAC name is (4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate
PubChem CID170842223
Molecular FormulaC24H35FO2
Molecular Weight374.54 g/mol
Exact Mass374.26
IUPAC Name(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate
SMILESCCCC1CCC(CCC2CCC(C(=O)Oc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H35FO2/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)24(26)27-23-16-14-22(25)15-17-23/h14-21H,2-13H2,1H3
InChIKeyXAJLJTFHPXPHHW-UHFFFAOYSA-N
XLogP6.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.54
LogP ≤ 56.92
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-fluorophenyl) 4-(4-propylcyclohexanecarbonyl)oxybenzoate
CID 22131611
(4-fluorophenyl) 4-[2-(3-methylcyclobutyl)ethyl]cyclohexane-1-carboxylate
CID 70405606
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
CID 170898859
[4-(difluoromethoxy)phenyl] 4-propylcyclohexane-1-carboxylate
CID 19436452
[4-(4-fluorophenyl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 14122067
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 23335039
(6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate
CID 19765611
(4-fluorophenyl) 4-[difluoro-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]methoxy]cyclohexane-1-carboxylate
CID 122502291
[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate
CID 70598371
pentakis((3-fluoro-4-sulfanylphenyl) 4-propylcyclohexane-1-carboxylate);pentahydrofluoride
CID 173376037
(4-fluorophenyl) 4-pentanoylcyclohexane-1-carboxylate
CID 70444257

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate?
The IUPAC name of (4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate (CID 170842223) is (4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate?
The canonical SMILES for (4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate is CCCC1CCC(CCC2CCC(C(=O)Oc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of (4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate?
The InChIKey is XAJLJTFHPXPHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FO2/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)24(26)27-23-16-14-22(25)15-17-23/h14-21H,2-13H2,1H3.
What are the key properties of (4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate?
(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate has a molecular weight of 374.54 g/mol, XLogP of 6.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 170842223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).