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

C22H20O — CID 24807530

IUPAC1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
SMILESCCc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H20O/c1-3-17-4-6-19(7-5-17)21-12-14-22(15-13-21)20-10-8-18(9-11-20)16(2)23/h4-15H,3H2,1-2H3
InChIKeyYSIVUSVFDHWTEE-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.79
Rot. Bonds4

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

1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone (PubChem CID 24807530) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
PubChem CID24807530
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
SMILESCCc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H20O/c1-3-17-4-6-19(7-5-17)21-12-14-22(15-13-21)20-10-8-18(9-11-20)16(2)23/h4-15H,3H2,1-2H3
InChIKeyYSIVUSVFDHWTEE-UHFFFAOYSA-N
XLogP5.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-(4-ethylphenyl)ethanone;propanamide
CID 142891370
4-(4-ethylphenyl)benzamide
CID 53425878
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
CID 97304566
1-[4-[(E)-2-[4-(4-ethylphenyl)phenyl]ethenyl]phenyl]ethanone;1-[4-[2-[4-(4-ethylphenyl)phenyl]ethyl]phenyl]ethanone;oxolane
CID 157310575
4-ethylbenzoyl iodide
CID 89147367
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
1-[4-[4-[(2,3,4,5,6-pentafluorophenyl)methyl]phenyl]phenyl]ethanone
CID 19967831
ethane;1-(4-phenylphenyl)ethanone
CID 123256888

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone (CID 24807530) is 1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone is CCc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone?
The InChIKey is YSIVUSVFDHWTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-3-17-4-6-19(7-5-17)21-12-14-22(15-13-21)20-10-8-18(9-11-20)16(2)23/h4-15H,3H2,1-2H3.
What are the key properties of 1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone?
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone has a molecular weight of 300.40 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 24807530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).