(2-benzoylphenyl) 2-methoxyacetate

C16H14O4 — CID 150870757

IUPAC(2-benzoylphenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14O4/c1-19-11-15(17)20-14-10-6-5-9-13(14)16(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyKTZIIOLGETWTRT-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.47
Rot. Bonds5

About (2-benzoylphenyl) 2-methoxyacetate

(2-benzoylphenyl) 2-methoxyacetate (PubChem CID 150870757) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2-benzoylphenyl) 2-methoxyacetate.

Molecular Properties

Compound Name(2-benzoylphenyl) 2-methoxyacetate
PubChem CID150870757
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(2-benzoylphenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14O4/c1-19-11-15(17)20-14-10-6-5-9-13(14)16(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyKTZIIOLGETWTRT-UHFFFAOYSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
(2-benzoylphenyl) (2S)-2-aminopropanoate
CID 67465428
(2-chlorophenyl) 2-methoxyacetate
CID 542147
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
naphthalen-1-yl 2-methoxyacetate;hydrochloride
CID 19894342
phenyl-(2-propoxyphenyl)methanone
CID 15556308
[2-(2-butanoyloxybenzoyl)phenyl] butanoate
CID 139701045
2-(2-ethoxyacetyl)oxybenzoic acid
CID 163885904
ethenyl 2-(2-benzoylphenoxy)acetate
CID 141075615
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
CID 139905658
(2-benzoyl-4,5-dimethoxyphenyl) propanoate
CID 69459736

Frequently Asked Questions

What is the IUPAC name of (2-benzoylphenyl) 2-methoxyacetate?
The IUPAC name of (2-benzoylphenyl) 2-methoxyacetate (CID 150870757) is (2-benzoylphenyl) 2-methoxyacetate.
What is the SMILES notation for (2-benzoylphenyl) 2-methoxyacetate?
The canonical SMILES for (2-benzoylphenyl) 2-methoxyacetate is COCC(=O)Oc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2-benzoylphenyl) 2-methoxyacetate?
The InChIKey is KTZIIOLGETWTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-11-15(17)20-14-10-6-5-9-13(14)16(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of (2-benzoylphenyl) 2-methoxyacetate?
(2-benzoylphenyl) 2-methoxyacetate has a molecular weight of 270.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoylphenyl) 2-methoxyacetate is sourced from PubChem (CID 150870757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).