[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate

C23H20O3 — CID 7229156

IUPAC[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccccc2-c2ccccc2)c(C)c1
InChIInChI=1S/C23H20O3/c1-16-12-13-19(17(2)14-16)22(24)15-26-23(25)21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyYWPJXJAMSVDGJM-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.01
Rot. Bonds5

About [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate

[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate (PubChem CID 7229156) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate
PubChem CID7229156
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccccc2-c2ccccc2)c(C)c1
InChIInChI=1S/C23H20O3/c1-16-12-13-19(17(2)14-16)22(24)15-26-23(25)21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyYWPJXJAMSVDGJM-UHFFFAOYSA-N
XLogP5.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dimethylphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 7785268
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 2569453
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate
CID 7554635
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7864776
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239775
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066788
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132983
[2-(2-bromophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2345743
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-bromobenzoate
CID 2565891
(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate
CID 955183

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate (CID 7229156) is [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate is Cc1ccc(C(=O)COC(=O)c2ccccc2-c2ccccc2)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is YWPJXJAMSVDGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-16-12-13-19(17(2)14-16)22(24)15-26-23(25)21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3.
What are the key properties of [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate?
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate has a molecular weight of 344.41 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate is sourced from PubChem (CID 7229156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).