2-(4-methylphenyl)-1-(3-propylphenyl)ethanone

C18H20O — CID 116543168

IUPAC2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
SMILESCCCc1cccc(C(=O)Cc2ccc(C)cc2)c1
InChIInChI=1S/C18H20O/c1-3-5-15-6-4-7-17(12-15)18(19)13-16-10-8-14(2)9-11-16/h4,6-12H,3,5,13H2,1-2H3
InChIKeySWEDLXJSPPKTAE-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.37
Rot. Bonds5

About 2-(4-methylphenyl)-1-(3-propylphenyl)ethanone

2-(4-methylphenyl)-1-(3-propylphenyl)ethanone (PubChem CID 116543168) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(3-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
PubChem CID116543168
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
SMILESCCCc1cccc(C(=O)Cc2ccc(C)cc2)c1
InChIInChI=1S/C18H20O/c1-3-5-15-6-4-7-17(12-15)18(19)13-16-10-8-14(2)9-11-16/h4,6-12H,3,5,13H2,1-2H3
InChIKeySWEDLXJSPPKTAE-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
CID 116549544
1-phenyl-2-(3-propylphenyl)ethanone
CID 152762612
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
1-(3-propylphenyl)heptan-1-one
CID 115812204
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
1-(3-propylphenyl)-2-pyridin-2-ylethanone
CID 116543105
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
CID 105133909
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
1-(3-propylphenyl)-2-propylsulfanylethanone
CID 116543248
1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one;1-(4-methylphenyl)-3-(4-propylphenyl)propan-2-one
CID 174915698
(E)-3-[3-[2-(4-methylphenyl)acetyl]phenyl]prop-2-enoic acid
CID 59268407
methyl 3-propylbenzoate
CID 12861009

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(3-propylphenyl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(3-propylphenyl)ethanone (CID 116543168) is 2-(4-methylphenyl)-1-(3-propylphenyl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(3-propylphenyl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(3-propylphenyl)ethanone is CCCc1cccc(C(=O)Cc2ccc(C)cc2)c1.
What is the InChIKey of 2-(4-methylphenyl)-1-(3-propylphenyl)ethanone?
The InChIKey is SWEDLXJSPPKTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-5-15-6-4-7-17(12-15)18(19)13-16-10-8-14(2)9-11-16/h4,6-12H,3,5,13H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-(3-propylphenyl)ethanone?
2-(4-methylphenyl)-1-(3-propylphenyl)ethanone has a molecular weight of 252.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(3-propylphenyl)ethanone is sourced from PubChem (CID 116543168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).