1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone

C24H24O — CID 101402075

IUPAC1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone
SMILESCCc1cc(Cc2ccccc2)c(C)c(C(C)=O)c1-c1ccccc1
InChIInChI=1S/C24H24O/c1-4-20-16-22(15-19-11-7-5-8-12-19)17(2)23(18(3)25)24(20)21-13-9-6-10-14-21/h5-14,16H,4,15H2,1-3H3
InChIKeyQNCCPCHMFNPJLP-UHFFFAOYSA-N
MW328.45 g/mol
LogP6.02
Rot. Bonds5

About 1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone

1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone (PubChem CID 101402075) has the molecular formula C24H24O and a molecular weight of 328.45 g/mol. Its IUPAC name is 1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone
PubChem CID101402075
Molecular FormulaC24H24O
Molecular Weight328.45 g/mol
Exact Mass328.18
IUPAC Name1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone
SMILESCCc1cc(Cc2ccccc2)c(C)c(C(C)=O)c1-c1ccccc1
InChIInChI=1S/C24H24O/c1-4-20-16-22(15-19-11-7-5-8-12-19)17(2)23(18(3)25)24(20)21-13-9-6-10-14-21/h5-14,16H,4,15H2,1-3H3
InChIKeyQNCCPCHMFNPJLP-UHFFFAOYSA-N
XLogP6.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-4-methyl-5-propanoylbenzoic acid
CID 101451110
4-benzyl-5-butyl-3-methyl-2-phenylphenol
CID 10359307
1-[2-acetyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]ethanone
CID 12582237
1-(2,4-dibenzylphenyl)ethanone
CID 70182248
4-benzyl-3,6-dimethyl-1H-pyridin-2-one
CID 71293406
5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid
CID 175195543
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
5-benzyl-3,4-dimethylbenzene-1,2-diol
CID 163756803
1-ethyl-2,4-dimethyl-3,5-diphenylbenzene
CID 173306034
1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone
CID 101376754
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
1-benzyl-2,4-diethylbenzene
CID 139691839

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone?
The IUPAC name of 1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone (CID 101402075) is 1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone.
What is the SMILES notation for 1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone?
The canonical SMILES for 1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone is CCc1cc(Cc2ccccc2)c(C)c(C(C)=O)c1-c1ccccc1.
What is the InChIKey of 1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone?
The InChIKey is QNCCPCHMFNPJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O/c1-4-20-16-22(15-19-11-7-5-8-12-19)17(2)23(18(3)25)24(20)21-13-9-6-10-14-21/h5-14,16H,4,15H2,1-3H3.
What are the key properties of 1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone?
1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone has a molecular weight of 328.45 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone is sourced from PubChem (CID 101402075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).