[3-(2,3-dimethylbenzoyl)phenyl] acetate

C17H16O3 — CID 24722984

IUPAC[3-(2,3-dimethylbenzoyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)c2cccc(C)c2C)c1
InChIInChI=1S/C17H16O3/c1-11-6-4-9-16(12(11)2)17(19)14-7-5-8-15(10-14)20-13(3)18/h4-10H,1-3H3
InChIKeyOIUCVWIJISSBFS-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.46
Rot. Bonds3

About [3-(2,3-dimethylbenzoyl)phenyl] acetate

[3-(2,3-dimethylbenzoyl)phenyl] acetate (PubChem CID 24722984) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is [3-(2,3-dimethylbenzoyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(2,3-dimethylbenzoyl)phenyl] acetate
PubChem CID24722984
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name[3-(2,3-dimethylbenzoyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)c2cccc(C)c2C)c1
InChIInChI=1S/C17H16O3/c1-11-6-4-9-16(12(11)2)17(19)14-7-5-8-15(10-14)20-13(3)18/h4-10H,1-3H3
InChIKeyOIUCVWIJISSBFS-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.46
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-[2-(trifluoromethyl)benzoyl]phenyl] acetate
CID 24722930
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
[3-(3-phenylbenzoyl)phenyl] acetate
CID 131863068
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
[3-(3,4-difluorobenzoyl)phenyl] acetate
CID 24722970
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
methyl 3-acetyloxybenzoate
CID 577969
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734
[3-(4-butylbenzoyl)phenyl] acetate
CID 24722956

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethylbenzoyl)phenyl] acetate?
The IUPAC name of [3-(2,3-dimethylbenzoyl)phenyl] acetate (CID 24722984) is [3-(2,3-dimethylbenzoyl)phenyl] acetate.
What is the SMILES notation for [3-(2,3-dimethylbenzoyl)phenyl] acetate?
The canonical SMILES for [3-(2,3-dimethylbenzoyl)phenyl] acetate is CC(=O)Oc1cccc(C(=O)c2cccc(C)c2C)c1.
What is the InChIKey of [3-(2,3-dimethylbenzoyl)phenyl] acetate?
The InChIKey is OIUCVWIJISSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-6-4-9-16(12(11)2)17(19)14-7-5-8-15(10-14)20-13(3)18/h4-10H,1-3H3.
What are the key properties of [3-(2,3-dimethylbenzoyl)phenyl] acetate?
[3-(2,3-dimethylbenzoyl)phenyl] acetate has a molecular weight of 268.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethylbenzoyl)phenyl] acetate is sourced from PubChem (CID 24722984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).