1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone

C24H24O — CID 58265204

IUPAC1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone
SMILESCCc1cccc(C(C)(c2ccccc2)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C24H24O/c1-4-19-9-8-12-23(17-19)24(3,21-10-6-5-7-11-21)22-15-13-20(14-16-22)18(2)25/h5-17H,4H2,1-3H3
InChIKeyXXTHMLPFDSIMEJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.81
Rot. Bonds5

About 1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone

1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone (PubChem CID 58265204) has the molecular formula C24H24O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone
PubChem CID58265204
Molecular FormulaC24H24O
Molecular Weight328.46 g/mol
Exact Mass328.18
IUPAC Name1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone
SMILESCCc1cccc(C(C)(c2ccccc2)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C24H24O/c1-4-19-9-8-12-23(17-19)24(3,21-10-6-5-7-11-21)22-15-13-20(14-16-22)18(2)25/h5-17H,4H2,1-3H3
InChIKeyXXTHMLPFDSIMEJ-UHFFFAOYSA-N
XLogP5.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone (CID 58265204) is 1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone is CCc1cccc(C(C)(c2ccccc2)c2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone?
The InChIKey is XXTHMLPFDSIMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O/c1-4-19-9-8-12-23(17-19)24(3,21-10-6-5-7-11-21)22-15-13-20(14-16-22)18(2)25/h5-17H,4H2,1-3H3.
What are the key properties of 1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone?
1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone has a molecular weight of 328.46 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-ethylphenyl)-1-phenylethyl]phenyl]ethanone is sourced from PubChem (CID 58265204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).