[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate

C17H16O3 — CID 146007393

IUPAC[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1cccc(-c2ccccc2)c1C
InChIInChI=1S/C17H16O3/c1-12-15(14-7-4-3-5-8-14)9-6-10-16(12)17(19)11-20-13(2)18/h3-10H,11H2,1-2H3
InChIKeyNSAHPWJUOVRKGV-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.41
Rot. Bonds4

About [2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate

[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate (PubChem CID 146007393) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is [2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate
PubChem CID146007393
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1cccc(-c2ccccc2)c1C
InChIInChI=1S/C17H16O3/c1-12-15(14-7-4-3-5-8-14)9-6-10-16(12)17(19)11-20-13(2)18/h3-10H,11H2,1-2H3
InChIKeyNSAHPWJUOVRKGV-UHFFFAOYSA-N
XLogP3.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
CID 151132531
N-hydroxy-2-methyl-3-phenylbenzamide
CID 54333518
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate
CID 7229156
3,5,5-trimethyl-1-(2-methyl-3-phenylphenyl)hexan-1-one
CID 146007423
2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone
CID 146007388
2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67159928
2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one
CID 146007407
(2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate
CID 16751644
2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine
CID 161149247
1-(3-amino-2-methylphenyl)-2-methoxyethanone
CID 116604310
3-(4-ethoxycarbonylphenyl)-2-methylbenzoic acid
CID 53227860
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate?
The IUPAC name of [2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate (CID 146007393) is [2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate is CC(=O)OCC(=O)c1cccc(-c2ccccc2)c1C.
What is the InChIKey of [2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate?
The InChIKey is NSAHPWJUOVRKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12-15(14-7-4-3-5-8-14)9-6-10-16(12)17(19)11-20-13(2)18/h3-10H,11H2,1-2H3.
What are the key properties of [2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate?
[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate has a molecular weight of 268.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate is sourced from PubChem (CID 146007393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).