[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate

C24H22O3 — CID 23821920

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCc1ccc(C(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H22O3/c1-18-12-14-21(15-13-18)23(25)17-27-24(26)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3
InChIKeyUXJBDWHSQFCOFE-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.94
Rot. Bonds7

About [2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate

[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 23821920) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID23821920
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCc1ccc(C(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H22O3/c1-18-12-14-21(15-13-18)23(25)17-27-24(26)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3
InChIKeyUXJBDWHSQFCOFE-UHFFFAOYSA-N
XLogP4.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
CID 7228115
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3,3-diphenylpropanoate
CID 46817553
[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
CID 602375
phenacyloxymethyl 3-(4-methylphenyl)-3-oxopropanoate
CID 175385549
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16611351
3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 13442249
phenacyl 2,2-diphenylacetate
CID 597416
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23762287
bis[2-(4-methylphenyl)-2-oxoethyl] 2-methylidenebutanedioate
CID 139902504
3-amino-1-(4-methylphenyl)butan-1-one
CID 55254036

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate (CID 23821920) is [2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate is Cc1ccc(C(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is UXJBDWHSQFCOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-18-12-14-21(15-13-18)23(25)17-27-24(26)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 358.44 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 23821920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).