3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one

C12H8O5 — CID 59891635

IUPAC3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c2oc(=O)ccc2cc2c(O)coc12
InChIInChI=1S/C12H8O5/c1-15-12-10-6(2-3-9(14)17-10)4-7-8(13)5-16-11(7)12/h2-5,13H,1H3
InChIKeyQHZAHVWOPUWSLE-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.25
Rot. Bonds1

About 3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one

3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one (PubChem CID 59891635) has the molecular formula C12H8O5 and a molecular weight of 232.19 g/mol. Its IUPAC name is 3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
PubChem CID59891635
Molecular FormulaC12H8O5
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c2oc(=O)ccc2cc2c(O)coc12
InChIInChI=1S/C12H8O5/c1-15-12-10-6(2-3-9(14)17-10)4-7-8(13)5-16-11(7)12/h2-5,13H,1H3
InChIKeyQHZAHVWOPUWSLE-UHFFFAOYSA-N
XLogP2.25
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde
CID 15108317
8-acetyl-6-hydroxy-7-methoxychromen-2-one
CID 161217673
7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one
CID 135456701
6,8-dimethoxy-7-nitrochromen-2-one
CID 134989897
9-methoxyfuro[3,2-g]chromene-3,7-dione
CID 141257302
6-hydroxy-5,7,8-trimethoxychromen-2-one
CID 86221763
3-methoxyfuro[3,2-g]chromen-7-one
CID 12896811
9-methoxyfuro[3,2-g]chromen-7-one;2-phenylethylhydrazine
CID 87812173
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
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 90014454
6-methoxythieno[2,3-h]chromen-2-one
CID 14235198

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one (CID 59891635) is 3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one is COc1c2oc(=O)ccc2cc2c(O)coc12.
What is the InChIKey of 3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one?
The InChIKey is QHZAHVWOPUWSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5/c1-15-12-10-6(2-3-9(14)17-10)4-7-8(13)5-16-11(7)12/h2-5,13H,1H3.
What are the key properties of 3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one?
3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one has a molecular weight of 232.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 59891635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).