1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one

C25H24O2 — CID 142235014

IUPAC1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Cc2ccccc2Cc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C25H24O2/c1-18(26)15-20-7-9-21(10-8-20)16-24-5-3-4-6-25(24)17-22-11-13-23(14-12-22)19(2)27/h3-14H,15-17H2,1-2H3
InChIKeyQUILYVYXLDLDGB-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.20
Rot. Bonds7

About 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one

1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one (PubChem CID 142235014) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one
PubChem CID142235014
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Cc2ccccc2Cc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C25H24O2/c1-18(26)15-20-7-9-21(10-8-20)16-24-5-3-4-6-25(24)17-22-11-13-23(14-12-22)19(2)27/h3-14H,15-17H2,1-2H3
InChIKeyQUILYVYXLDLDGB-UHFFFAOYSA-N
XLogP5.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one 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

1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
benzene;1-phenylpropan-2-one
CID 21430852
2-(4-acetylphenyl)acetyl chloride
CID 19746515
ethane;N-methyl-4-(2-oxopropyl)benzamide
CID 170580328
2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone
CID 176753519
bis[4-(4-acetylphenyl)sulfanylphenyl]-[4-[4-(2-oxopropyl)phenyl]sulfanylphenyl]sulfanium
CID 145277248
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
acetic acid;4-acetylbenzoic acid;4-[(4-carboxyphenyl)methyl]benzoic acid;methane;naphthalene
CID 157146063
1-(4-acetylphenyl)-3,3-dimethylbutan-2-one
CID 122675580
1-(3-acetylphenyl)propan-2-one
CID 12950417
benzyl 2-(4-acetylphenyl)acetate
CID 121231799

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one (CID 142235014) is 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one is CC(=O)Cc1ccc(Cc2ccccc2Cc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one?
The InChIKey is QUILYVYXLDLDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-18(26)15-20-7-9-21(10-8-20)16-24-5-3-4-6-25(24)17-22-11-13-23(14-12-22)19(2)27/h3-14H,15-17H2,1-2H3.
What are the key properties of 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one?
1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one has a molecular weight of 356.47 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one is sourced from PubChem (CID 142235014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).