[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate

C29H30O4 — CID 149336494

IUPAC[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate
SMILESCOc1ccc(C2(c3ccc(OC(=O)Cc4ccc(C(C)=O)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C29H30O4/c1-21(30)23-8-6-22(7-9-23)20-28(31)33-27-16-12-25(13-17-27)29(18-4-3-5-19-29)24-10-14-26(32-2)15-11-24/h6-17H,3-5,18-20H2,1-2H3
InChIKeyYDIOBACOVBCIOV-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.30
Rot. Bonds7

About [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate

[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate (PubChem CID 149336494) has the molecular formula C29H30O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate.

Molecular Properties

Compound Name[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate
PubChem CID149336494
Molecular FormulaC29H30O4
Molecular Weight442.56 g/mol
Exact Mass442.21
IUPAC Name[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate
SMILESCOc1ccc(C2(c3ccc(OC(=O)Cc4ccc(C(C)=O)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C29H30O4/c1-21(30)23-8-6-22(7-9-23)20-28(31)33-27-16-12-25(13-17-27)29(18-4-3-5-19-29)24-10-14-26(32-2)15-11-24/h6-17H,3-5,18-20H2,1-2H3
InChIKeyYDIOBACOVBCIOV-UHFFFAOYSA-N
XLogP6.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
[4-[1-(4-methoxyphenyl)cyclododecyl]phenyl] 3-acetylbenzoate
CID 153428107
[4-[1-[4-(3-oxobutanoyloxy)phenyl]cycloheptyl]phenyl] 3-oxobutanoate
CID 139704599
[4-[1-[4-(4-ethylbenzoyl)oxyphenyl]cyclohexyl]phenyl] 4-ethylbenzoate
CID 58453565
[4-[1-[4-(4-acetyloxybenzoyl)oxyphenyl]cyclohexyl]phenyl] 4-acetyloxybenzoate
CID 142729677
cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate
CID 130473799
[4-[1-[4-[4-[(E)-1-(4-methoxyphenyl)-2-phenylethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 20709036
(4-acetylphenyl) 2-naphthalen-2-ylacetate
CID 8764059
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate?
The IUPAC name of [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate (CID 149336494) is [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate.
What is the SMILES notation for [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate?
The canonical SMILES for [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate is COc1ccc(C2(c3ccc(OC(=O)Cc4ccc(C(C)=O)cc4)cc3)CCCCC2)cc1.
What is the InChIKey of [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate?
The InChIKey is YDIOBACOVBCIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O4/c1-21(30)23-8-6-22(7-9-23)20-28(31)33-27-16-12-25(13-17-27)29(18-4-3-5-19-29)24-10-14-26(32-2)15-11-24/h6-17H,3-5,18-20H2,1-2H3.
What are the key properties of [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate?
[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate has a molecular weight of 442.56 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate is sourced from PubChem (CID 149336494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).