[2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate

C17H16O3 — CID 789326

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate
SMILESCc1ccc(C(=O)COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-13-7-9-15(10-8-13)16(18)12-20-17(19)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyHVXXCQHENKGERT-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.96
Rot. Bonds5

About [2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate

[2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate (PubChem CID 789326) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate
PubChem CID789326
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate
SMILESCc1ccc(C(=O)COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-13-7-9-15(10-8-13)16(18)12-20-17(19)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyHVXXCQHENKGERT-UHFFFAOYSA-N
XLogP2.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenethyl phenylacetate
CID 7601
Acequinocyl
CID 93315
2,2-Dimethoxy-2-phenylacetophenone
CID 90571
Pelubiprofen
CID 5282203
2,2-Diethoxyacetophenone
CID 22555
4-Biphenylylacetic acid ethyl ester
CID 26436
Ethyl benzoylformate
CID 15349
Methyl phenylglyoxalate
CID 84835
Benzoin ethyl ether
CID 101778
Ethanone, 2-(acetyloxy)-1-phenyl-
CID 222851
Fluenetil
CID 20288
2,4-Dioxo-4-phenyl-butyric acid ethyl ester
CID 226503

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate (CID 789326) is [2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate is Cc1ccc(C(=O)COC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate?
The InChIKey is HVXXCQHENKGERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-13-7-9-15(10-8-13)16(18)12-20-17(19)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate?
[2-(4-methylphenyl)-2-oxoethyl] 2-phenylacetate has a molecular weight of 268.31 g/mol, XLogP of 2.96, 5 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] 2-phenylacetate is sourced from PubChem (CID 789326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).