[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C16H13FO4 — CID 8666926

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)c2cccc(F)c2)c1O
InChIInChI=1S/C16H13FO4/c1-10-4-2-7-13(15(10)19)16(20)21-9-14(18)11-5-3-6-12(17)8-11/h2-8,19H,9H2,1H3
InChIKeyRBJBUMCRLMHECN-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.88
Rot. Bonds4

About [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 8666926) has the molecular formula C16H13FO4 and a molecular weight of 288.27 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID8666926
Molecular FormulaC16H13FO4
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)c2cccc(F)c2)c1O
InChIInChI=1S/C16H13FO4/c1-10-4-2-7-13(15(10)19)16(20)21-9-14(18)11-5-3-6-12(17)8-11/h2-8,19H,9H2,1H3
InChIKeyRBJBUMCRLMHECN-UHFFFAOYSA-N
XLogP2.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416477
[2-(3-fluorophenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 8675962
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840385
[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 8676496
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2410537
[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8677319
(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-3-methylbenzoate
CID 7840644
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9460457
[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8675808
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222
(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate
CID 19132570

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 8666926) is [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)c2cccc(F)c2)c1O.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is RBJBUMCRLMHECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO4/c1-10-4-2-7-13(15(10)19)16(20)21-9-14(18)11-5-3-6-12(17)8-11/h2-8,19H,9H2,1H3.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 288.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 8666926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).