2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid

C15H10F2O4 — CID 10447030

IUPAC2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
SMILESCC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O
InChIInChI=1S/C15H10F2O4/c1-8(18)21-14-5-2-9(6-12(14)15(19)20)11-4-3-10(16)7-13(11)17/h2-7H,1H3,(H,19,20)
InChIKeyLISFBZUVDUFOFV-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.26
Rot. Bonds3

About 2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid

2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid (PubChem CID 10447030) has the molecular formula C15H10F2O4 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid.

Molecular Properties

Compound Name2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
PubChem CID10447030
Molecular FormulaC15H10F2O4
Molecular Weight292.24 g/mol
Exact Mass292.05
IUPAC Name2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
SMILESCC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O
InChIInChI=1S/C15H10F2O4/c1-8(18)21-14-5-2-9(6-12(14)15(19)20)11-4-3-10(16)7-13(11)17/h2-7H,1H3,(H,19,20)
InChIKeyLISFBZUVDUFOFV-UHFFFAOYSA-N
XLogP3.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetyloxy-5-(2-fluoro-4-methylphenyl)benzoic acid
CID 142686399
5-(2,4-difluorophenyl)-2-methylsulfanylcarbonyloxybenzoic acid
CID 144552933
[4-(2,4-difluorophenyl)-2-ethylsulfanylcarbonylphenyl] acetate
CID 123921466
2-[8-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]octoxy]-5-(2,4-difluorophenyl)benzoic acid
CID 11763391
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid
CID 154572888
2-(dipropylamino)ethyl 2-acetyloxy-5-(2,4-difluorophenyl)benzoate;hydrochloride
CID 90419150
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
2-acetyloxy-4-(4-acetyloxy-3-carboxyphenyl)benzoic acid
CID 122608425
5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid
CID 159882630
2-acetyloxy-4-fluorobenzoic acid
CID 15902067
5-(2,4-difluorophenyl)-2-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]sulfanylcarbonyloxybenzoic acid
CID 88536099

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid?
The IUPAC name of 2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid (CID 10447030) is 2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid.
What is the SMILES notation for 2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid?
The canonical SMILES for 2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid is CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.
What is the InChIKey of 2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid?
The InChIKey is LISFBZUVDUFOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O4/c1-8(18)21-14-5-2-9(6-12(14)15(19)20)11-4-3-10(16)7-13(11)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid?
2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid has a molecular weight of 292.24 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid is sourced from PubChem (CID 10447030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).