4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one

C15H16O6 — CID 87969142

IUPAC4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one
SMILESCC=COc1c(O)c2ccc(OCCCO)cc2oc1=O
InChIInChI=1S/C15H16O6/c1-2-7-20-14-13(17)11-5-4-10(19-8-3-6-16)9-12(11)21-15(14)18/h2,4-5,7,9,16-17H,3,6,8H2,1H3
InChIKeyIBOIKTJPADZLTO-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.17
Rot. Bonds6

About 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one

4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one (PubChem CID 87969142) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one.

Molecular Properties

Compound Name4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one
PubChem CID87969142
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one
SMILESCC=COc1c(O)c2ccc(OCCCO)cc2oc1=O
InChIInChI=1S/C15H16O6/c1-2-7-20-14-13(17)11-5-4-10(19-8-3-6-16)9-12(11)21-15(14)18/h2,4-5,7,9,16-17H,3,6,8H2,1H3
InChIKeyIBOIKTJPADZLTO-UHFFFAOYSA-N
XLogP2.17
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-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-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one
CID 87969158
7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one
CID 54730071
(7-butoxy-4-hydroxy-2-oxochromen-3-yl) acetate
CID 54703290
3-(3-butoxy-4-hydroxy-2-oxochromen-7-yl)oxypropanoic acid
CID 54696897
4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one
CID 54696756
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
3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-6-(3-hydroxypropoxy)chromen-2-one
CID 91458466
4-hydroxy-6-(3-hydroxypropoxy)-3-(2-methylpentoxy)chromen-2-one
CID 54697002
4-hydroxy-7-(2-hydroxyethoxy)-3-(4-methylhexyl)chromen-2-one
CID 174466577
3-hydroxy-6-(3-hydroxypropoxy)chromen-2-one
CID 174466451

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one?
The IUPAC name of 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one (CID 87969142) is 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one.
What is the SMILES notation for 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one?
The canonical SMILES for 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one is CC=COc1c(O)c2ccc(OCCCO)cc2oc1=O.
What is the InChIKey of 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one?
The InChIKey is IBOIKTJPADZLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-2-7-20-14-13(17)11-5-4-10(19-8-3-6-16)9-12(11)21-15(14)18/h2,4-5,7,9,16-17H,3,6,8H2,1H3.
What are the key properties of 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one?
4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one has a molecular weight of 292.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one is sourced from PubChem (CID 87969142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).