1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone

C14H18O — CID 162722129

IUPAC1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone
SMILESC=C(C)c1ccc(CCC)c(C(C)=O)c1
InChIInChI=1S/C14H18O/c1-5-6-12-7-8-13(10(2)3)9-14(12)11(4)15/h7-9H,2,5-6H2,1,3-4H3
InChIKeyLJGVYYLCCRPLBO-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.87
Rot. Bonds4

About 1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone

1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone (PubChem CID 162722129) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone
PubChem CID162722129
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone
SMILESC=C(C)c1ccc(CCC)c(C(C)=O)c1
InChIInChI=1S/C14H18O/c1-5-6-12-7-8-13(10(2)3)9-14(12)11(4)15/h7-9H,2,5-6H2,1,3-4H3
InChIKeyLJGVYYLCCRPLBO-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone?
The IUPAC name of 1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone (CID 162722129) is 1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone.
What is the SMILES notation for 1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone?
The canonical SMILES for 1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone is C=C(C)c1ccc(CCC)c(C(C)=O)c1.
What is the InChIKey of 1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone?
The InChIKey is LJGVYYLCCRPLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-5-6-12-7-8-13(10(2)3)9-14(12)11(4)15/h7-9H,2,5-6H2,1,3-4H3.
What are the key properties of 1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone?
1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone has a molecular weight of 202.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone is sourced from PubChem (CID 162722129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).