1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane

C17H28O — CID 143103497

IUPAC1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
SMILESCC.CC.Cc1ccc(CCC(=O)C2CC2)cc1
InChIInChI=1S/C13H16O.2C2H6/c1-10-2-4-11(5-3-10)6-9-13(14)12-7-8-12;2*1-2/h2-5,12H,6-9H2,1H3;2*1-2H3
InChIKeyFNWFMFGHKRGBPD-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.96
Rot. Bonds4

About 1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane

1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane (PubChem CID 143103497) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
PubChem CID143103497
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
SMILESCC.CC.Cc1ccc(CCC(=O)C2CC2)cc1
InChIInChI=1S/C13H16O.2C2H6/c1-10-2-4-11(5-3-10)6-9-13(14)12-7-8-12;2*1-2/h2-5,12H,6-9H2,1H3;2*1-2H3
InChIKeyFNWFMFGHKRGBPD-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one
CID 24726531
3-(4-aminophenyl)-1-cyclopropylpropan-1-one
CID 115605902
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82289357
1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one
CID 64505005
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
CID 24726014
1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
CID 24726480
ethane;3-(4-methylphenyl)propanamide
CID 142510251
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one
CID 63351672

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane?
The IUPAC name of 1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane (CID 143103497) is 1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane.
What is the SMILES notation for 1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane?
The canonical SMILES for 1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane is CC.CC.Cc1ccc(CCC(=O)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane?
The InChIKey is FNWFMFGHKRGBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.2C2H6/c1-10-2-4-11(5-3-10)6-9-13(14)12-7-8-12;2*1-2/h2-5,12H,6-9H2,1H3;2*1-2H3.
What are the key properties of 1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane?
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane has a molecular weight of 248.41 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane is sourced from PubChem (CID 143103497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).