8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one

C15H16O6 — CID 72993679

IUPAC8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one
SMILESCOc1cc2ccc(=O)oc2c2c1OC(C(C)(O)CO)C2
InChIInChI=1S/C15H16O6/c1-15(18,7-16)11-6-9-13-8(3-4-12(17)21-13)5-10(19-2)14(9)20-11/h3-5,11,16,18H,6-7H2,1-2H3
InChIKeyNBGLTUMCBPGOJY-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.85
Rot. Bonds3

About 8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one

8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one (PubChem CID 72993679) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is 8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one
PubChem CID72993679
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one
SMILESCOc1cc2ccc(=O)oc2c2c1OC(C(C)(O)CO)C2
InChIInChI=1S/C15H16O6/c1-15(18,7-16)11-6-9-13-8(3-4-12(17)21-13)5-10(19-2)14(9)20-11/h3-5,11,16,18H,6-7H2,1-2H3
InChIKeyNBGLTUMCBPGOJY-UHFFFAOYSA-N
XLogP0.85
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate
CID 162979060
(2S,3R)-2-(3-hydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
CID 163006657
2-[(8R)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate
CID 162933974
[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2S)-9-hydroxy-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
CID 162864325
8-(hydroxymethyl)-7-methoxychromen-2-one
CID 1051542
1-[2-(1,2-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
CID 72805569
6-[(2R,3S)-3-(2-hydroxypropan-2-yl)oxiran-2-yl]-7-methoxychromen-2-one
CID 163036838
(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
CID 102508666
6,7-dimethoxychromen-2-one
CID 159563577
7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one
CID 163041261
7-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one
CID 163041260
6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 5318566

Frequently Asked Questions

What is the IUPAC name of 8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one?
The IUPAC name of 8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one (CID 72993679) is 8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one is COc1cc2ccc(=O)oc2c2c1OC(C(C)(O)CO)C2.
What is the InChIKey of 8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one?
The InChIKey is NBGLTUMCBPGOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-15(18,7-16)11-6-9-13-8(3-4-12(17)21-13)5-10(19-2)14(9)20-11/h3-5,11,16,18H,6-7H2,1-2H3.
What are the key properties of 8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one?
8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one has a molecular weight of 292.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2-dihydroxypropan-2-yl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one is sourced from PubChem (CID 72993679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).