[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate

C16H12F2O5 — CID 17448025

IUPAC[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C16H12F2O5/c1-22-10-3-5-12(14(19)7-10)16(21)23-8-15(20)11-4-2-9(17)6-13(11)18/h2-7,19H,8H2,1H3
InChIKeyYWQNOXPTRHHTRP-UHFFFAOYSA-N
MW322.26 g/mol
LogP2.72
Rot. Bonds5

About [2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate

[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate (PubChem CID 17448025) has the molecular formula C16H12F2O5 and a molecular weight of 322.26 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
PubChem CID17448025
Molecular FormulaC16H12F2O5
Molecular Weight322.26 g/mol
Exact Mass322.07
IUPAC Name[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C16H12F2O5/c1-22-10-3-5-12(14(19)7-10)16(21)23-8-15(20)11-4-2-9(17)6-13(11)18/h2-7,19H,8H2,1H3
InChIKeyYWQNOXPTRHHTRP-UHFFFAOYSA-N
XLogP2.72
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837451
[2-(2-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7501091
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
[(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate
CID 55562993
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7491072
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 9406115
[2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 24572580
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The IUPAC name of [2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate (CID 17448025) is [2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate.
What is the SMILES notation for [2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The canonical SMILES for [2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)c2ccc(F)cc2F)c(O)c1.
What is the InChIKey of [2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The InChIKey is YWQNOXPTRHHTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O5/c1-22-10-3-5-12(14(19)7-10)16(21)23-8-15(20)11-4-2-9(17)6-13(11)18/h2-7,19H,8H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate has a molecular weight of 322.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 17448025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).