1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone

C25H22O3 — CID 143811695

IUPAC1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(-c2ccc(-c3ccc(C(C)=O)c(C(C)=O)c3)cc2)ccc1C
InChIInChI=1S/C25H22O3/c1-15-5-6-21(13-24(15)17(3)27)19-7-9-20(10-8-19)22-11-12-23(16(2)26)25(14-22)18(4)28/h5-14H,1-4H3
InChIKeyGCOIUJHUIYPBLX-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.94
Rot. Bonds5

About 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone

1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone (PubChem CID 143811695) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone
PubChem CID143811695
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(-c2ccc(-c3ccc(C(C)=O)c(C(C)=O)c3)cc2)ccc1C
InChIInChI=1S/C25H22O3/c1-15-5-6-21(13-24(15)17(3)27)19-7-9-20(10-8-19)22-11-12-23(16(2)26)25(14-22)18(4)28/h5-14H,1-4H3
InChIKeyGCOIUJHUIYPBLX-UHFFFAOYSA-N
XLogP5.94
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetyl-4-(3,4-diacetylphenyl)benzoic acid
CID 54415638
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
3-(3-acetyl-4-methylphenyl)benzonitrile
CID 70243297
1-[5-(dimethylamino)-2-methylphenyl]ethanone
CID 54505937
1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone
CID 20716256
1-(2,3,4-trimethylphenyl)ethanone
CID 590291
1-(5-ethenyl-2-methylphenyl)ethanone
CID 143958265
1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone
CID 175647166
3-acetyl-4-methylbenzonitrile;ethane
CID 166111749
2-methyl-5-(4-methylsulfonylphenyl)benzamide
CID 142718216
1-[2-chloro-4-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 82769801
1-(5-ethylsulfonyl-2-methylphenyl)ethanone
CID 162730827

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone (CID 143811695) is 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone is CC(=O)c1cc(-c2ccc(-c3ccc(C(C)=O)c(C(C)=O)c3)cc2)ccc1C.
What is the InChIKey of 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone?
The InChIKey is GCOIUJHUIYPBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3/c1-15-5-6-21(13-24(15)17(3)27)19-7-9-20(10-8-19)22-11-12-23(16(2)26)25(14-22)18(4)28/h5-14H,1-4H3.
What are the key properties of 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone?
1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone has a molecular weight of 370.45 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 143811695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).