4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one

C17H12O7 — CID 162868360

IUPAC4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1cc2c(cc1O)oc1c3ccc(OC)c(O)c3oc(=O)c21
InChIInChI=1S/C17H12O7/c1-21-10-4-3-7-15-13(17(20)24-16(7)14(10)19)8-5-12(22-2)9(18)6-11(8)23-15/h3-6,18-19H,1-2H3
InChIKeyLWHXUIMIAFTSKX-UHFFFAOYSA-N
MW328.28 g/mol
LogP3.12
Rot. Bonds2

About 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one

4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 162868360) has the molecular formula C17H12O7 and a molecular weight of 328.28 g/mol. Its IUPAC name is 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID162868360
Molecular FormulaC17H12O7
Molecular Weight328.28 g/mol
Exact Mass328.06
IUPAC Name4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1cc2c(cc1O)oc1c3ccc(OC)c(O)c3oc(=O)c21
InChIInChI=1S/C17H12O7/c1-21-10-4-3-7-15-13(17(20)24-16(7)14(10)19)8-5-12(22-2)9(18)6-11(8)23-15/h3-6,18-19H,1-2H3
InChIKeyLWHXUIMIAFTSKX-UHFFFAOYSA-N
XLogP3.12
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one
CID 90933686
3-hydroxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
CID 11999160
3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CID 73387965
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
12-(2-bromo-5-hydroxy-4-methoxyphenyl)-7,17-dihydroxy-8,16-dimethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18,20-nonaen-3-one
CID 132965787
4-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
CID 18372853
1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
CID 10016947
(8,9-diacetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) acetate;hydrobromide
CID 90484364
2,3,4,7-tetramethoxydibenzofuran-1,6-diol
CID 171115286
1,3-dihydroxy-2,5,6,7-tetramethoxyxanthen-9-one
CID 91189315

Frequently Asked Questions

What is the IUPAC name of 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one (CID 162868360) is 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one is COc1cc2c(cc1O)oc1c3ccc(OC)c(O)c3oc(=O)c21.
What is the InChIKey of 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is LWHXUIMIAFTSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O7/c1-21-10-4-3-7-15-13(17(20)24-16(7)14(10)19)8-5-12(22-2)9(18)6-11(8)23-15/h3-6,18-19H,1-2H3.
What are the key properties of 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 328.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 162868360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).