1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one

C17H20O3 — CID 141071833

IUPAC1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1c(CCC)ccc(OCC)c1C(=O)C=C
InChIInChI=1S/C17H20O3/c1-5-9-12-10-11-15(20-8-4)17(14(19)7-3)16(12)13(18)6-2/h6-7,10-11H,2-3,5,8-9H2,1,4H3
InChIKeyUSRAALXPYOEKCZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.78
Rot. Bonds8

About 1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one

1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one (PubChem CID 141071833) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one
PubChem CID141071833
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1c(CCC)ccc(OCC)c1C(=O)C=C
InChIInChI=1S/C17H20O3/c1-5-9-12-10-11-15(20-8-4)17(14(19)7-3)16(12)13(18)6-2/h6-7,10-11H,2-3,5,8-9H2,1,4H3
InChIKeyUSRAALXPYOEKCZ-UHFFFAOYSA-N
XLogP3.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one (CID 141071833) is 1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one is C=CC(=O)c1c(CCC)ccc(OCC)c1C(=O)C=C.
What is the InChIKey of 1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one?
The InChIKey is USRAALXPYOEKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-5-9-12-10-11-15(20-8-4)17(14(19)7-3)16(12)13(18)6-2/h6-7,10-11H,2-3,5,8-9H2,1,4H3.
What are the key properties of 1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one?
1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one has a molecular weight of 272.34 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one is sourced from PubChem (CID 141071833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).