9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one

C16H10O5 — CID 131750884

IUPAC9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1ccc2c(c1)oc(=O)c1c3ccc(O)cc3oc21
InChIInChI=1S/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3
InChIKeyYQBVKPREVBFWSA-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.41
Rot. Bonds1

About 9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one

9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 131750884) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID131750884
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1ccc2c(c1)oc(=O)c1c3ccc(O)cc3oc21
InChIInChI=1S/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3
InChIKeyYQBVKPREVBFWSA-UHFFFAOYSA-N
XLogP3.41
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.41
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

7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol
CID 101286257
3-hydroxy-8,10-dimethoxybenzo[c]chromen-6-one
CID 169439551
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
2-bromo-3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CID 42600759
9-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-[1]benzofuro[3,2-c]chromen-6-one
CID 159010341
3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one
CID 6217099
3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CID 73387965
3-hydroxy-9-methoxy-10-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
CID 46210318
7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one
CID 135456776
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499
3,9-dimethoxy-5-methyl-[1]benzofuro[3,2-c]quinolin-6-one
CID 2794540
(8,9-diacetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) acetate;hydrobromide
CID 90484364

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one (CID 131750884) is 9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one is COc1ccc2c(c1)oc(=O)c1c3ccc(O)cc3oc21.
What is the InChIKey of 9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is YQBVKPREVBFWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3.
What are the key properties of 9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 282.25 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 131750884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).