[4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate

C23H24O4 — CID 2898

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IUPAC[4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
InChIKeyGVOUFPWUYJWQSK-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.30
Rot. Bonds4

About [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate

[4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate (PubChem CID 2898) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate
PubChem CID2898
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name[4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
InChIKeyGVOUFPWUYJWQSK-UHFFFAOYSA-N
XLogP5.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.30
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

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4-(p-ACETOXYPHENYL)-2-BUTANONE
CID 19137
p-Cresyl isovalerate
CID 62092
o-Cresyl acetate
CID 10778
Diethylstilbestrol Dipropionate
CID 657220
p-Cresyl octanoate
CID 43046
p-CRESYL PHENYLACETATE
CID 60997
4-Methylcoumarin
CID 11833

Frequently Asked Questions

What is the IUPAC name of [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate?
The IUPAC name of [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate (CID 2898) is [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate.
What is the SMILES notation for [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate?
The canonical SMILES for [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate is CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate?
The InChIKey is GVOUFPWUYJWQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3.
What are the key properties of [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate?
[4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate has a molecular weight of 364.44 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate is sourced from PubChem (CID 2898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).