(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

C24H34O4 — CID 23335039

IUPAC(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCCC1CCC(C2CCC(C(=O)Oc3ccc(OC(C)=O)cc3)CC2)CC1
InChIInChI=1S/C24H34O4/c1-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)24(26)28-23-15-13-22(14-16-23)27-17(2)25/h13-16,18-21H,3-12H2,1-2H3
InChIKeyNTLADJKWWWVGGL-UHFFFAOYSA-N
MW386.53 g/mol
LogP5.93
Rot. Bonds6

About (4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 23335039) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is (4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
PubChem CID23335039
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCCC1CCC(C2CCC(C(=O)Oc3ccc(OC(C)=O)cc3)CC2)CC1
InChIInChI=1S/C24H34O4/c1-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)24(26)28-23-15-13-22(14-16-23)27-17(2)25/h13-16,18-21H,3-12H2,1-2H3
InChIKeyNTLADJKWWWVGGL-UHFFFAOYSA-N
XLogP5.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-acetyloxyphenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 23334878
(4-acetyloxyphenyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 23334567
ethane;(4-prop-2-enoyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 142301465
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
CID 170898859
(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate
CID 170842223
(4-methoxyphenyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
CID 23334967
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
[4-(difluoromethoxy)phenyl] 4-propylcyclohexane-1-carboxylate
CID 19436452
[4-(4-formylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 174302537
(4-propanoyloxyphenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate
CID 23334826
pentakis((4-sulfanylphenyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate);pentahydrofluoride
CID 173376225
(4-sulfanylphenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 19993052

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
The IUPAC name of (4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate (CID 23335039) is (4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate.
What is the SMILES notation for (4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
The canonical SMILES for (4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate is CCCC1CCC(C2CCC(C(=O)Oc3ccc(OC(C)=O)cc3)CC2)CC1.
What is the InChIKey of (4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
The InChIKey is NTLADJKWWWVGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)24(26)28-23-15-13-22(14-16-23)27-17(2)25/h13-16,18-21H,3-12H2,1-2H3.
What are the key properties of (4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 386.53 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 23335039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).