(4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate

C24H35FO2 — CID 67790563

IUPAC(4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate
SMILESCCCC1CCC([C@H]2CCCC(CCC(=O)Oc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C24H35FO2/c1-2-4-18-7-10-20(11-8-18)21-6-3-5-19(17-21)9-16-24(26)27-23-14-12-22(25)13-15-23/h12-15,18-21H,2-11,16-17H2,1H3/t18?,19?,20?,21-/m0/s1
InChIKeySOGPBKUFCSYATH-FNNAPWSISA-N
MW374.54 g/mol
LogP6.92
Rot. Bonds7

About (4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate

(4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate (PubChem CID 67790563) has the molecular formula C24H35FO2 and a molecular weight of 374.54 g/mol. Its IUPAC name is (4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate
PubChem CID67790563
Molecular FormulaC24H35FO2
Molecular Weight374.54 g/mol
Exact Mass374.26
IUPAC Name(4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate
SMILESCCCC1CCC([C@H]2CCCC(CCC(=O)Oc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C24H35FO2/c1-2-4-18-7-10-20(11-8-18)21-6-3-5-19(17-21)9-16-24(26)27-23-14-12-22(25)13-15-23/h12-15,18-21H,2-11,16-17H2,1H3/t18?,19?,20?,21-/m0/s1
InChIKeySOGPBKUFCSYATH-FNNAPWSISA-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) 3-piperidin-4-ylpropanoate
CID 117125845
(4-fluorophenyl) 4-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexane-1-carboxylate
CID 139866770
(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate
CID 170842223
[3-fluoro-4-(trifluoromethyl)phenyl] 3-(4-propylcyclohexyl)propanoate
CID 67790473
(4-fluorophenyl) 6-(4-ethylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate
CID 22383206
[4-(difluoromethoxy)phenyl] 3-(4-butylcyclohexyl)propanoate
CID 67789984
(3,4-difluorophenyl) 3-(4-butylcyclohexyl)propanoate
CID 67789718
[3-(4-propylcyclohexyl)cyclohexyl] propanoate
CID 23041175
trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640232
(4-fluorophenyl) 4-(4-propylcyclohexanecarbonyl)oxybenzoate
CID 22131611
(2R,4aR,6R,8aR)-2-(4-fluorophenyl)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809899
[4-(4-fluorophenyl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 14122067

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate?
The IUPAC name of (4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate (CID 67790563) is (4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate.
What is the SMILES notation for (4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate?
The canonical SMILES for (4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate is CCCC1CCC([C@H]2CCCC(CCC(=O)Oc3ccc(F)cc3)C2)CC1.
What is the InChIKey of (4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate?
The InChIKey is SOGPBKUFCSYATH-FNNAPWSISA-N. The full InChI is InChI=1S/C24H35FO2/c1-2-4-18-7-10-20(11-8-18)21-6-3-5-19(17-21)9-16-24(26)27-23-14-12-22(25)13-15-23/h12-15,18-21H,2-11,16-17H2,1H3/t18?,19?,20?,21-/m0/s1.
What are the key properties of (4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate?
(4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate 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) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate is sourced from PubChem (CID 67790563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).