[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate

C28H28O3 — CID 4993605

IUPAC[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C28H28O3/c29-26(23-18-16-22(17-19-23)21-10-4-1-5-11-21)20-31-28(30)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h2-3,6-9,12-19,21,27H,1,4-5,10-11,20H2
InChIKeyVOSLXZVTZFPAOL-UHFFFAOYSA-N
MW412.53 g/mol
LogP6.29
Rot. Bonds7

About [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate

[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 4993605) has the molecular formula C28H28O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate
PubChem CID4993605
Molecular FormulaC28H28O3
Molecular Weight412.53 g/mol
Exact Mass412.20
IUPAC Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C28H28O3/c29-26(23-18-16-22(17-19-23)21-10-4-1-5-11-21)20-31-28(30)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h2-3,6-9,12-19,21,27H,1,4-5,10-11,20H2
InChIKeyVOSLXZVTZFPAOL-UHFFFAOYSA-N
XLogP6.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate 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

[2-(4-cyclohexylphenyl)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 25425940
phenacyl 2,2-diphenylacetate
CID 597416
[2-(4-cyclohexylphenyl)-2-oxoethyl] (3S)-3-(ethoxycarbonylamino)-3-phenylpropanoate
CID 126009230
4-O-benzyl 1-O-[2-(4-cyclohexylphenyl)-2-oxoethyl] (2R)-2-(phenylmethoxycarbonylamino)butanedioate
CID 126006535
4-O-benzyl 1-O-[2-(4-cyclohexylphenyl)-2-oxoethyl] (2S)-2-(phenylmethoxycarbonylamino)butanedioate
CID 126006536
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105131775
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 23855632
4-O-[2-(4-cyclohexylphenyl)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6066141
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-chlorobenzoate
CID 1327389
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-iodobenzoate
CID 4673675
[2-(4-cyclohexylphenyl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228513
tris(4-cyclohexylphenyl)-phenacylphosphanium
CID 139734395

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate (CID 4993605) is [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate is O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is VOSLXZVTZFPAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O3/c29-26(23-18-16-22(17-19-23)21-10-4-1-5-11-21)20-31-28(30)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h2-3,6-9,12-19,21,27H,1,4-5,10-11,20H2.
What are the key properties of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate?
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 412.53 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate is sourced from PubChem (CID 4993605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).