3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one

C19H24O5 — CID 174454232

IUPAC3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one
SMILESCCCCC=Cc1c(O)c2cc(OCCCCO)ccc2oc1=O
InChIInChI=1S/C19H24O5/c1-2-3-4-5-8-15-18(21)16-13-14(23-12-7-6-11-20)9-10-17(16)24-19(15)22/h5,8-10,13,20-21H,2-4,6-7,11-12H2,1H3
InChIKeyZKFAKYOXQLXZLW-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.85
Rot. Bonds9

About 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one

3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one (PubChem CID 174454232) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one.

Molecular Properties

Compound Name3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one
PubChem CID174454232
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one
SMILESCCCCC=Cc1c(O)c2cc(OCCCCO)ccc2oc1=O
InChIInChI=1S/C19H24O5/c1-2-3-4-5-8-15-18(21)16-13-14(23-12-7-6-11-20)9-10-17(16)24-19(15)22/h5,8-10,13,20-21H,2-4,6-7,11-12H2,1H3
InChIKeyZKFAKYOXQLXZLW-UHFFFAOYSA-N
XLogP3.85
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.85
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'}

Analyze 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-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

Related Compounds

4-hydroxy-6-(5-hydroxy-3-oxopentoxy)-3-octoxychromen-2-one
CID 174454221
6-decoxy-3-hydroxy-4-methoxychromen-2-one
CID 19929351
(6-decoxy-4-hydroxy-2-oxochromen-3-yl) acetate
CID 54690561
ethyl 4-hydroxy-6-(3-hydroxypropoxy)-2-oxochromene-3-carboxylate
CID 174466554
4-hydroxy-6-(3-hydroxypropoxy)-3-(2-methylpentoxy)chromen-2-one
CID 54697002
2-(4-hydroxy-2-oxo-3-pentoxychromen-6-yl)oxyacetic acid
CID 54696667
3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-6-(3-hydroxypropoxy)chromen-2-one
CID 91458466
2-[3-[(E)-dec-1-enoxy]-4-hydroxy-2-oxochromen-6-yl]oxyacetic acid
CID 54696690
4-hydroxy-6-(2-hydroxyethoxy)-3-(2-methylpentoxy)chromen-2-one
CID 54696910
7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one
CID 54730071
3-hydroxy-6-(3-hydroxypropoxy)chromen-2-one
CID 174466451
3,8-dioctoxybenzo[c]chromen-6-one
CID 150150540

Frequently Asked Questions

What is the IUPAC name of 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one?
The IUPAC name of 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one (CID 174454232) is 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one.
What is the SMILES notation for 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one?
The canonical SMILES for 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one is CCCCC=Cc1c(O)c2cc(OCCCCO)ccc2oc1=O.
What is the InChIKey of 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one?
The InChIKey is ZKFAKYOXQLXZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-2-3-4-5-8-15-18(21)16-13-14(23-12-7-6-11-20)9-10-17(16)24-19(15)22/h5,8-10,13,20-21H,2-4,6-7,11-12H2,1H3.
What are the key properties of 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one?
3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one has a molecular weight of 332.40 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-enyl-4-hydroxy-6-(4-hydroxybutoxy)chromen-2-one is sourced from PubChem (CID 174454232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).