[2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate

C24H22O3 — CID 7904837

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C24H22O3/c1-17-8-9-19(14-18(17)2)15-24(26)27-16-23(25)22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKeySSHZAIFFTUCPGW-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.94
Rot. Bonds6

About [2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate (PubChem CID 7904837) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate
PubChem CID7904837
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C24H22O3/c1-17-8-9-19(14-18(17)2)15-24(26)27-16-23(25)22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKeySSHZAIFFTUCPGW-UHFFFAOYSA-N
XLogP4.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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] 2-(4-phenylphenyl)acetate
CID 7704319
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703831
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 7522575
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7627706
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8850092
phenacyl 2-(3-bromo-4-methoxyphenyl)acetate
CID 19132535
(4-phenylphenyl)methyl 3,4-dimethylbenzoate
CID 7794291
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
CID 602375
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8535763
[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
CID 7228115
2-[4-methyl-3-[2-[2-(4-methylphenyl)acetyl]oxyacetyl]phenyl]acetic acid
CID 86053816

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate (CID 7904837) is [2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate is Cc1ccc(CC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1C.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate?
The InChIKey is SSHZAIFFTUCPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-17-8-9-19(14-18(17)2)15-24(26)27-16-23(25)22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate?
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate has a molecular weight of 358.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 7904837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).