(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one

C17H24O3 — CID 5281794

IUPAC(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
SMILESCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
InChIKeyOQWKEEOHDMUXEO-BQYQJAHWSA-N
MW276.38 g/mol
LogP4.04
Rot. Bonds9

About (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one

(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one (PubChem CID 5281794) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one.

Molecular Properties

Compound Name(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
PubChem CID5281794
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
SMILESCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
InChIKeyOQWKEEOHDMUXEO-BQYQJAHWSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one?
The IUPAC name of (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one (CID 5281794) is (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one.
What is the SMILES notation for (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one?
The canonical SMILES for (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one is CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1.
What is the InChIKey of (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one?
The InChIKey is OQWKEEOHDMUXEO-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+.
What are the key properties of (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one?
(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one has a molecular weight of 276.38 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one is sourced from PubChem (CID 5281794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).