1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one

C18H20O — CID 55061865

IUPAC1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
SMILESCCc1ccc(CC(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20O/c1-3-15-8-10-17(11-9-15)13-18(19)12-16-6-4-14(2)5-7-16/h4-11H,3,12-13H2,1-2H3
InChIKeyZHISEIOVHSZNSF-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.91
Rot. Bonds5

About 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one

1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one (PubChem CID 55061865) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
PubChem CID55061865
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
SMILESCCc1ccc(CC(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20O/c1-3-15-8-10-17(11-9-15)13-18(19)12-16-6-4-14(2)5-7-16/h4-11H,3,12-13H2,1-2H3
InChIKeyZHISEIOVHSZNSF-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-[4-(4-ethylphenyl)phenyl]butan-2-one
CID 142075756
1-(4-ethylphenyl)-3-hydroxypropan-2-one
CID 82280636
1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one
CID 62622317
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
CID 159697261
4-chloro-1-(4-methylphenyl)butan-2-one
CID 57318013
ethane;1-(4-methylphenyl)pentane-2,4-dione
CID 142280927
1-(dimethylamino)-3-(4-ethylphenyl)propan-2-one
CID 79077220
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one (CID 55061865) is 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one is CCc1ccc(CC(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one?
The InChIKey is ZHISEIOVHSZNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-15-8-10-17(11-9-15)13-18(19)12-16-6-4-14(2)5-7-16/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one?
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one has a molecular weight of 252.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 55061865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).