[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate

C15H11FO5 — CID 8676496

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)c1cccc(F)c1
InChIInChI=1S/C15H11FO5/c16-10-3-1-2-9(6-10)14(19)8-21-15(20)12-5-4-11(17)7-13(12)18/h1-7,17-18H,8H2
InChIKeySOQQOWQKKVYGQU-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.28
Rot. Bonds4

About [2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate

[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 8676496) has the molecular formula C15H11FO5 and a molecular weight of 290.25 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID8676496
Molecular FormulaC15H11FO5
Molecular Weight290.25 g/mol
Exact Mass290.06
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)c1cccc(F)c1
InChIInChI=1S/C15H11FO5/c16-10-3-1-2-9(6-10)14(19)8-21-15(20)12-5-4-11(17)7-13(12)18/h1-7,17-18H,8H2
InChIKeySOQQOWQKKVYGQU-UHFFFAOYSA-N
XLogP2.28
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7501091
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 8666926
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7500911
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222
[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8677319
[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8675808
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate
CID 7870759
[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate
CID 19132570
[2-(3-fluorophenyl)-2-oxoethyl] 4-cyanobenzoate
CID 8666868
[2-(3-fluorophenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 8675962
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764
[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 17448025

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate (CID 8676496) is [2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is SOQQOWQKKVYGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO5/c16-10-3-1-2-9(6-10)14(19)8-21-15(20)12-5-4-11(17)7-13(12)18/h1-7,17-18H,8H2.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 290.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 8676496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).