4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one

C12H8O5 — CID 131852892

IUPAC4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one
SMILESCOc1c(O)c2ccc3occc3c2oc1=O
InChIInChI=1S/C12H8O5/c1-15-11-9(13)7-2-3-8-6(4-5-16-8)10(7)17-12(11)14/h2-5,13H,1H3
InChIKeyDSXCMHXJPITNRC-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.25
Rot. Bonds1

About 4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one

4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one (PubChem CID 131852892) has the molecular formula C12H8O5 and a molecular weight of 232.19 g/mol. Its IUPAC name is 4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one
PubChem CID131852892
Molecular FormulaC12H8O5
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one
SMILESCOc1c(O)c2ccc3occc3c2oc1=O
InChIInChI=1S/C12H8O5/c1-15-11-9(13)7-2-3-8-6(4-5-16-8)10(7)17-12(11)14/h2-5,13H,1H3
InChIKeyDSXCMHXJPITNRC-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

(3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone
CID 42607786
6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
CID 54718203
4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
CID 623929
4-methoxy-5-methyl-1-benzofuran
CID 22940027
6-hydroxy-5,7,8-trimethoxychromen-2-one
CID 86221763
2-(3-hydroxyphenyl)furo[2,3-h]chromen-4-one
CID 11054992
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one
CID 54690574
ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione
CID 153362051
4-hydroxy-1-benzofuran-5-carboxamide
CID 122195904
1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione
CID 689051
4-(4-ethoxyphenyl)-3-(2H-tetrazol-5-yl)furo[2,3-h]chromen-2-one
CID 175172104

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one?
The IUPAC name of 4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one (CID 131852892) is 4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one is COc1c(O)c2ccc3occc3c2oc1=O.
What is the InChIKey of 4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one?
The InChIKey is DSXCMHXJPITNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5/c1-15-11-9(13)7-2-3-8-6(4-5-16-8)10(7)17-12(11)14/h2-5,13H,1H3.
What are the key properties of 4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one?
4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-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 4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 131852892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).