1-(2,4-dibenzylphenyl)ethanone

C22H20O — CID 70182248

IUPAC1-(2,4-dibenzylphenyl)ethanone
SMILESCC(=O)c1ccc(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C22H20O/c1-17(23)22-13-12-20(14-18-8-4-2-5-9-18)16-21(22)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3
InChIKeyULPSBJAHBLXMCL-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.07
Rot. Bonds5

About 1-(2,4-dibenzylphenyl)ethanone

1-(2,4-dibenzylphenyl)ethanone (PubChem CID 70182248) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(2,4-dibenzylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dibenzylphenyl)ethanone
PubChem CID70182248
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name1-(2,4-dibenzylphenyl)ethanone
SMILESCC(=O)c1ccc(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C22H20O/c1-17(23)22-13-12-20(14-18-8-4-2-5-9-18)16-21(22)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3
InChIKeyULPSBJAHBLXMCL-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl 2,4-dibenzylbenzoate
CID 22352888
1-(5-benzyl-2-methoxyphenyl)ethanone
CID 10681517
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
4-benzyl-2-chlorobenzoic acid
CID 150746352
4,6-bis[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 22269445
2-benzyl-4-fluorobenzoic acid
CID 68960960
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
(6-benzylnaphthalen-2-yl) acetate
CID 132602814
2-(3-benzylphenyl)acetic acid
CID 22590987
2-amino-5-benzylbenzoic acid
CID 23538086

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibenzylphenyl)ethanone?
The IUPAC name of 1-(2,4-dibenzylphenyl)ethanone (CID 70182248) is 1-(2,4-dibenzylphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dibenzylphenyl)ethanone?
The canonical SMILES for 1-(2,4-dibenzylphenyl)ethanone is CC(=O)c1ccc(Cc2ccccc2)cc1Cc1ccccc1.
What is the InChIKey of 1-(2,4-dibenzylphenyl)ethanone?
The InChIKey is ULPSBJAHBLXMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-17(23)22-13-12-20(14-18-8-4-2-5-9-18)16-21(22)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3.
What are the key properties of 1-(2,4-dibenzylphenyl)ethanone?
1-(2,4-dibenzylphenyl)ethanone has a molecular weight of 300.40 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibenzylphenyl)ethanone is sourced from PubChem (CID 70182248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).