1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone

C24H22O2 — CID 101265569

IUPAC1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cc2ccc(Cc3cccc(C(C)=O)c3)cc2)cc1
InChIInChI=1S/C24H22O2/c1-17(25)23-12-10-21(11-13-23)14-19-6-8-20(9-7-19)15-22-4-3-5-24(16-22)18(2)26/h3-13,16H,14-15H2,1-2H3
InChIKeyHCJMTOAKQWESBS-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.27
Rot. Bonds6

About 1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone

1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone (PubChem CID 101265569) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
PubChem CID101265569
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cc2ccc(Cc3cccc(C(C)=O)c3)cc2)cc1
InChIInChI=1S/C24H22O2/c1-17(25)23-12-10-21(11-13-23)14-19-6-8-20(9-7-19)15-22-4-3-5-24(16-22)18(2)26/h3-13,16H,14-15H2,1-2H3
InChIKeyHCJMTOAKQWESBS-UHFFFAOYSA-N
XLogP5.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195
1-(3-prop-2-ynylphenyl)ethanone
CID 45086131
1-[3-(cyclobutylmethyl)phenyl]ethanone
CID 115017585
5-(3-acetylphenyl)pentan-2-one
CID 11052734
1-(2,4-dibenzylphenyl)ethanone
CID 70182248
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110
1-phenylethanone;phenylmethanamine
CID 174700909
3-benzylbenzamide;hydrochloride
CID 159409318

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone (CID 101265569) is 1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone is CC(=O)c1ccc(Cc2ccc(Cc3cccc(C(C)=O)c3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone?
The InChIKey is HCJMTOAKQWESBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-17(25)23-12-10-21(11-13-23)14-19-6-8-20(9-7-19)15-22-4-3-5-24(16-22)18(2)26/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone?
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone is sourced from PubChem (CID 101265569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).