[3-(3,4-difluorobenzoyl)phenyl] acetate

C15H10F2O3 — CID 24722970

IUPAC[3-(3,4-difluorobenzoyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H10F2O3/c1-9(18)20-12-4-2-3-10(7-12)15(19)11-5-6-13(16)14(17)8-11/h2-8H,1H3
InChIKeyRPGCVLGDEDNIAM-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.12
Rot. Bonds3

About [3-(3,4-difluorobenzoyl)phenyl] acetate

[3-(3,4-difluorobenzoyl)phenyl] acetate (PubChem CID 24722970) has the molecular formula C15H10F2O3 and a molecular weight of 276.24 g/mol. Its IUPAC name is [3-(3,4-difluorobenzoyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(3,4-difluorobenzoyl)phenyl] acetate
PubChem CID24722970
Molecular FormulaC15H10F2O3
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name[3-(3,4-difluorobenzoyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H10F2O3/c1-9(18)20-12-4-2-3-10(7-12)15(19)11-5-6-13(16)14(17)8-11/h2-8H,1H3
InChIKeyRPGCVLGDEDNIAM-UHFFFAOYSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
[3-(3-phenylbenzoyl)phenyl] acetate
CID 131863068
[3-(4-butylbenzoyl)phenyl] acetate
CID 24722956
methyl 3-acetyloxybenzoate
CID 577969
[3-(2-bromo-2,2-difluoroacetyl)phenyl] acetate
CID 146010595
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344
(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
[3-(2,3-dimethylbenzoyl)phenyl] acetate
CID 24722984
[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate
CID 24722930
(3-carbamothioylphenyl) acetate
CID 97046721
[3-(2-bromoacetyl)phenyl] acetate
CID 23289276
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorobenzoyl)phenyl] acetate?
The IUPAC name of [3-(3,4-difluorobenzoyl)phenyl] acetate (CID 24722970) is [3-(3,4-difluorobenzoyl)phenyl] acetate.
What is the SMILES notation for [3-(3,4-difluorobenzoyl)phenyl] acetate?
The canonical SMILES for [3-(3,4-difluorobenzoyl)phenyl] acetate is CC(=O)Oc1cccc(C(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of [3-(3,4-difluorobenzoyl)phenyl] acetate?
The InChIKey is RPGCVLGDEDNIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O3/c1-9(18)20-12-4-2-3-10(7-12)15(19)11-5-6-13(16)14(17)8-11/h2-8H,1H3.
What are the key properties of [3-(3,4-difluorobenzoyl)phenyl] acetate?
[3-(3,4-difluorobenzoyl)phenyl] acetate has a molecular weight of 276.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorobenzoyl)phenyl] acetate is sourced from PubChem (CID 24722970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).