(4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate

C24H34O4 — CID 23334818

IUPAC(4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCC(=O)Oc1ccc(OC(=O)C2CCC(C3CCC(CC)CC3)CC2)cc1
InChIInChI=1S/C24H34O4/c1-3-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(26)28-22-15-13-21(14-16-22)27-23(25)4-2/h13-20H,3-12H2,1-2H3
InChIKeyHALXLLROHCLNFW-UHFFFAOYSA-N
MW386.53 g/mol
LogP5.93
Rot. Bonds6

About (4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate

(4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 23334818) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is (4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
PubChem CID23334818
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name(4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCC(=O)Oc1ccc(OC(=O)C2CCC(C3CCC(CC)CC3)CC2)cc1
InChIInChI=1S/C24H34O4/c1-3-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(26)28-22-15-13-21(14-16-22)27-23(25)4-2/h13-20H,3-12H2,1-2H3
InChIKeyHALXLLROHCLNFW-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

ethane;phenyl 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 90929650
(4-propanoyloxyphenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate
CID 23334826
phenyl 4-ethylcyclohexane-1-carboxylate
CID 53401345
(4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate
CID 15218955
(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 23335039
[4-[4-(methylideneamino)phenyl]phenyl] 4-ethylcyclohexane-1-carboxylate
CID 59944846
[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate
CID 70598371
(4-methoxyphenyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
CID 23334967
(4-acetyloxyphenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 23334878
[4-[2-(4-pent-1-ynylphenyl)ethynyl]phenyl] 4-ethylcyclohexane-1-carboxylate
CID 67827853
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542

Frequently Asked Questions

What is the IUPAC name of (4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate?
The IUPAC name of (4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate (CID 23334818) is (4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate.
What is the SMILES notation for (4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate?
The canonical SMILES for (4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate is CCC(=O)Oc1ccc(OC(=O)C2CCC(C3CCC(CC)CC3)CC2)cc1.
What is the InChIKey of (4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate?
The InChIKey is HALXLLROHCLNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-3-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(26)28-22-15-13-21(14-16-22)27-23(25)4-2/h13-20H,3-12H2,1-2H3.
What are the key properties of (4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate?
(4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)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-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 23334818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).