2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one

C20H10O8 — CID 140850447

IUPAC2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one
SMILESO=c1oc2cc(O)c(O)cc2c(O)c1-c1cc2c(=O)oc3ccccc3c2o1
InChIInChI=1S/C20H10O8/c21-11-5-9-14(7-12(11)22)28-20(25)16(17(9)23)15-6-10-18(26-15)8-3-1-2-4-13(8)27-19(10)24/h1-7,21-23H
InChIKeyMHANIVWLTDRJDO-UHFFFAOYSA-N
MW378.29 g/mol
LogP3.43
Rot. Bonds1

About 2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one

2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one (PubChem CID 140850447) has the molecular formula C20H10O8 and a molecular weight of 378.29 g/mol. Its IUPAC name is 2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one
PubChem CID140850447
Molecular FormulaC20H10O8
Molecular Weight378.29 g/mol
Exact Mass378.04
IUPAC Name2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one
SMILESO=c1oc2cc(O)c(O)cc2c(O)c1-c1cc2c(=O)oc3ccccc3c2o1
InChIInChI=1S/C20H10O8/c21-11-5-9-14(7-12(11)22)28-20(25)16(17(9)23)15-6-10-18(26-15)8-3-1-2-4-13(8)27-19(10)24/h1-7,21-23H
InChIKeyMHANIVWLTDRJDO-UHFFFAOYSA-N
XLogP3.43
TPSA134.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dihydroxy-2-oxochromen-3-yl)-8-hydroxyfuro[3,2-c]chromen-4-one
CID 58668709
2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one
CID 58668704
3-(2,4-dimethylphenyl)-4-hydroxychromen-2-one
CID 54676463
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione
CID 110273264
4-hydroxy-3-methylchromen-2-one
CID 54687016
furo[3,2-c]chromen-4-one
CID 1488785
3-[(3,4-dihydroxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 54695589
4-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)sulfanylchromen-2-one
CID 54703982
4-hydroxy-3-[[3-[(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]methyl]chromen-2-one
CID 54706563
4,8-dihydroxy-3-phenylchromen-2-one
CID 54721333
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668

Frequently Asked Questions

What is the IUPAC name of 2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one?
The IUPAC name of 2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one (CID 140850447) is 2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one?
The canonical SMILES for 2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one is O=c1oc2cc(O)c(O)cc2c(O)c1-c1cc2c(=O)oc3ccccc3c2o1.
What is the InChIKey of 2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one?
The InChIKey is MHANIVWLTDRJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10O8/c21-11-5-9-14(7-12(11)22)28-20(25)16(17(9)23)15-6-10-18(26-15)8-3-1-2-4-13(8)27-19(10)24/h1-7,21-23H.
What are the key properties of 2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one?
2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one has a molecular weight of 378.29 g/mol, XLogP of 3.43, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 140850447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).