1-[4-(4-ethylphenyl)phenyl]butan-2-one

C18H20O — CID 142075756

IUPAC1-[4-(4-ethylphenyl)phenyl]butan-2-one
SMILESCCC(=O)Cc1ccc(-c2ccc(CC)cc2)cc1
InChIInChI=1S/C18H20O/c1-3-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18(19)4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyKRMWBAFYBAEMFI-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.44
Rot. Bonds5

About 1-[4-(4-ethylphenyl)phenyl]butan-2-one

1-[4-(4-ethylphenyl)phenyl]butan-2-one (PubChem CID 142075756) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)phenyl]butan-2-one.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)phenyl]butan-2-one
PubChem CID142075756
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-[4-(4-ethylphenyl)phenyl]butan-2-one
SMILESCCC(=O)Cc1ccc(-c2ccc(CC)cc2)cc1
InChIInChI=1S/C18H20O/c1-3-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18(19)4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyKRMWBAFYBAEMFI-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
1-(4-ethylphenyl)-3-hydroxypropan-2-one
CID 82280636
1-(4-chlorophenyl)butan-2-one
CID 39237509
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
1-(dimethylamino)-3-(4-ethylphenyl)propan-2-one
CID 79077220
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
4-(4-ethylphenyl)benzamide
CID 53425878
1-(4-ethylphenyl)butane-2,3-dione
CID 83697691
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
1-(4-ethylphenyl)-5-(methylamino)pentan-2-one
CID 116555578
1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenyl)phenyl]butan-2-one?
The IUPAC name of 1-[4-(4-ethylphenyl)phenyl]butan-2-one (CID 142075756) is 1-[4-(4-ethylphenyl)phenyl]butan-2-one.
What is the SMILES notation for 1-[4-(4-ethylphenyl)phenyl]butan-2-one?
The canonical SMILES for 1-[4-(4-ethylphenyl)phenyl]butan-2-one is CCC(=O)Cc1ccc(-c2ccc(CC)cc2)cc1.
What is the InChIKey of 1-[4-(4-ethylphenyl)phenyl]butan-2-one?
The InChIKey is KRMWBAFYBAEMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18(19)4-2/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-[4-(4-ethylphenyl)phenyl]butan-2-one?
1-[4-(4-ethylphenyl)phenyl]butan-2-one has a molecular weight of 252.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenyl)phenyl]butan-2-one is sourced from PubChem (CID 142075756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).