2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone

C23H20O2 — CID 175001099

IUPAC2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccccc2C(=O)c2ccccc2)c1C
InChIInChI=1S/C23H20O2/c1-16-9-8-14-20(17(16)2)22(24)15-19-12-6-7-13-21(19)23(25)18-10-4-3-5-11-18/h3-14H,15H2,1-2H3
InChIKeyHZTOTQISFHWXOH-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.96
Rot. Bonds5

About 2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone

2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone (PubChem CID 175001099) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone
PubChem CID175001099
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccccc2C(=O)c2ccccc2)c1C
InChIInChI=1S/C23H20O2/c1-16-9-8-14-20(17(16)2)22(24)15-19-12-6-7-13-21(19)23(25)18-10-4-3-5-11-18/h3-14H,15H2,1-2H3
InChIKeyHZTOTQISFHWXOH-UHFFFAOYSA-N
XLogP4.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
bis(1-(2,3-dimethylphenyl)-2-phenylethane-1,2-dione);tris(1,2-diphenylethane-1,2-dione)
CID 173395381
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
1,2-bis(2-methylphenyl)ethanone
CID 11345119
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
[3-(2,3-dimethylbenzoyl)phenyl] acetate
CID 24722984
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone?
The IUPAC name of 2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone (CID 175001099) is 2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone is Cc1cccc(C(=O)Cc2ccccc2C(=O)c2ccccc2)c1C.
What is the InChIKey of 2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone?
The InChIKey is HZTOTQISFHWXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-16-9-8-14-20(17(16)2)22(24)15-19-12-6-7-13-21(19)23(25)18-10-4-3-5-11-18/h3-14H,15H2,1-2H3.
What are the key properties of 2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone?
2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone has a molecular weight of 328.41 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone is sourced from PubChem (CID 175001099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).