1-phenyl-2-(3-propylphenyl)ethanone

C17H18O — CID 152762612

IUPAC1-phenyl-2-(3-propylphenyl)ethanone
SMILESCCCc1cccc(CC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O/c1-2-7-14-8-6-9-15(12-14)13-17(18)16-10-4-3-5-11-16/h3-6,8-12H,2,7,13H2,1H3
InChIKeyLADNJWJQIHCUMP-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.06
Rot. Bonds5

About 1-phenyl-2-(3-propylphenyl)ethanone

1-phenyl-2-(3-propylphenyl)ethanone (PubChem CID 152762612) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-phenyl-2-(3-propylphenyl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(3-propylphenyl)ethanone
PubChem CID152762612
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-phenyl-2-(3-propylphenyl)ethanone
SMILESCCCc1cccc(CC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O/c1-2-7-14-8-6-9-15(12-14)13-17(18)16-10-4-3-5-11-16/h3-6,8-12H,2,7,13H2,1H3
InChIKeyLADNJWJQIHCUMP-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
CID 10740738
2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
CID 116543168
2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
CID 116549544
1-(3-propylphenyl)-2-pyridin-2-ylethanone
CID 116543105
methyl 2-(3-propylphenyl)acetate
CID 89333992
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
1-(3-propylphenyl)heptan-1-one
CID 115812204
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
1-[6-[2-[3-(2-aminoethyl)phenyl]acetyl]-2-pyridinyl]-2-(3-propylphenyl)ethanone
CID 158579110
1,2-diphenylethanone;diphenylmethanone
CID 141067729
1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
CID 145137621
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-propylphenyl)ethanone?
The IUPAC name of 1-phenyl-2-(3-propylphenyl)ethanone (CID 152762612) is 1-phenyl-2-(3-propylphenyl)ethanone.
What is the SMILES notation for 1-phenyl-2-(3-propylphenyl)ethanone?
The canonical SMILES for 1-phenyl-2-(3-propylphenyl)ethanone is CCCc1cccc(CC(=O)c2ccccc2)c1.
What is the InChIKey of 1-phenyl-2-(3-propylphenyl)ethanone?
The InChIKey is LADNJWJQIHCUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-2-7-14-8-6-9-15(12-14)13-17(18)16-10-4-3-5-11-16/h3-6,8-12H,2,7,13H2,1H3.
What are the key properties of 1-phenyl-2-(3-propylphenyl)ethanone?
1-phenyl-2-(3-propylphenyl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-propylphenyl)ethanone is sourced from PubChem (CID 152762612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).