3-hex-3-enoxy-4,5-dihydroxychromen-2-one

C15H16O5 — CID 54735998

IUPAC3-hex-3-enoxy-4,5-dihydroxychromen-2-one
SMILESCCC=CCCOc1c(O)c2c(O)cccc2oc1=O
InChIInChI=1S/C15H16O5/c1-2-3-4-5-9-19-14-13(17)12-10(16)7-6-8-11(12)20-15(14)18/h3-4,6-8,16-17H,2,5,9H2,1H3
InChIKeyUBJHSDBJUXKRDB-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.94
Rot. Bonds5

About 3-hex-3-enoxy-4,5-dihydroxychromen-2-one

3-hex-3-enoxy-4,5-dihydroxychromen-2-one (PubChem CID 54735998) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-hex-3-enoxy-4,5-dihydroxychromen-2-one.

Molecular Properties

Compound Name3-hex-3-enoxy-4,5-dihydroxychromen-2-one
PubChem CID54735998
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name3-hex-3-enoxy-4,5-dihydroxychromen-2-one
SMILESCCC=CCCOc1c(O)c2c(O)cccc2oc1=O
InChIInChI=1S/C15H16O5/c1-2-3-4-5-9-19-14-13(17)12-10(16)7-6-8-11(12)20-15(14)18/h3-4,6-8,16-17H,2,5,9H2,1H3
InChIKeyUBJHSDBJUXKRDB-UHFFFAOYSA-N
XLogP2.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hex-3-enoxy-4,5-dihydroxychromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hex-3-enoxy-4,5-dihydroxychromen-2-one?
The IUPAC name of 3-hex-3-enoxy-4,5-dihydroxychromen-2-one (CID 54735998) is 3-hex-3-enoxy-4,5-dihydroxychromen-2-one.
What is the SMILES notation for 3-hex-3-enoxy-4,5-dihydroxychromen-2-one?
The canonical SMILES for 3-hex-3-enoxy-4,5-dihydroxychromen-2-one is CCC=CCCOc1c(O)c2c(O)cccc2oc1=O.
What is the InChIKey of 3-hex-3-enoxy-4,5-dihydroxychromen-2-one?
The InChIKey is UBJHSDBJUXKRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-2-3-4-5-9-19-14-13(17)12-10(16)7-6-8-11(12)20-15(14)18/h3-4,6-8,16-17H,2,5,9H2,1H3.
What are the key properties of 3-hex-3-enoxy-4,5-dihydroxychromen-2-one?
3-hex-3-enoxy-4,5-dihydroxychromen-2-one has a molecular weight of 276.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-3-enoxy-4,5-dihydroxychromen-2-one is sourced from PubChem (CID 54735998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).