7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one

C17H20O5 — CID 54730071

IUPAC7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one
SMILESCCCCC=COc1c(O)c2ccc(OCC)cc2oc1=O
InChIInChI=1S/C17H20O5/c1-3-5-6-7-10-21-16-15(18)13-9-8-12(20-4-2)11-14(13)22-17(16)19/h7-11,18H,3-6H2,1-2H3
InChIKeyWELDEAVZRMOASC-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.98
Rot. Bonds7

About 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one

7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one (PubChem CID 54730071) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one.

Molecular Properties

Compound Name7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one
PubChem CID54730071
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one
SMILESCCCCC=COc1c(O)c2ccc(OCC)cc2oc1=O
InChIInChI=1S/C17H20O5/c1-3-5-6-7-10-21-16-15(18)13-9-8-12(20-4-2)11-14(13)22-17(16)19/h7-11,18H,3-6H2,1-2H3
InChIKeyWELDEAVZRMOASC-UHFFFAOYSA-N
XLogP3.98
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-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

2-[3-[(E)-dec-1-enoxy]-4-hydroxy-2-oxochromen-6-yl]oxyacetic acid
CID 54696690
4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one
CID 87969142
4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one
CID 87969158
(7-butoxy-4-hydroxy-2-oxochromen-3-yl) acetate
CID 54703290
3-(3-butoxy-4-hydroxy-2-oxochromen-7-yl)oxypropanoic acid
CID 54696897
3-hexoxy-4-hydroxy-7-methoxychromen-2-one
CID 54694152
3-(4-hydroxy-3-octoxy-2-oxochromen-7-yl)oxypropyl acetate
CID 54694186
7-[(E)-hex-3-enoxy]-4-hydroxy-3-propan-2-yloxychromen-2-one
CID 54690514
7-decoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hydroxychromen-2-one
CID 54690482
4-hydroxy-5-(3-hydroxypropoxy)-3-[(E)-oct-1-enoxy]chromen-2-one
CID 54696925
2-[4-hydroxy-3-[(E)-oct-1-enoxy]-2-oxochromen-5-yl]oxyacetic acid
CID 54697059
8-(2,3-dihydroxypropoxy)-3-[(E)-hex-1-enoxy]-4-hydroxychromen-2-one
CID 54697040

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one?
The IUPAC name of 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one (CID 54730071) is 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one.
What is the SMILES notation for 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one?
The canonical SMILES for 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one is CCCCC=COc1c(O)c2ccc(OCC)cc2oc1=O.
What is the InChIKey of 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one?
The InChIKey is WELDEAVZRMOASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-3-5-6-7-10-21-16-15(18)13-9-8-12(20-4-2)11-14(13)22-17(16)19/h7-11,18H,3-6H2,1-2H3.
What are the key properties of 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one?
7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one has a molecular weight of 304.34 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one is sourced from PubChem (CID 54730071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).