3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one

C17H12O7 — CID 11537197

IUPAC3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
SMILESCc1c(O)cc2oc3c(c(=O)c2c1O)-c1ccc(O)cc1OC3O
InChIInChI=1S/C17H12O7/c1-6-9(19)5-11-13(14(6)20)15(21)12-8-3-2-7(18)4-10(8)24-17(22)16(12)23-11/h2-5,17-20,22H,1H3
InChIKeyNCWLTPKGFNPAMP-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.27
Rot. Bonds

About 3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one

3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one (PubChem CID 11537197) has the molecular formula C17H12O7 and a molecular weight of 328.28 g/mol. Its IUPAC name is 3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one.

Molecular Properties

Compound Name3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
PubChem CID11537197
Molecular FormulaC17H12O7
Molecular Weight328.28 g/mol
Exact Mass328.06
IUPAC Name3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
SMILESCc1c(O)cc2oc3c(c(=O)c2c1O)-c1ccc(O)cc1OC3O
InChIInChI=1S/C17H12O7/c1-6-9(19)5-11-13(14(6)20)15(21)12-8-3-2-7(18)4-10(8)24-17(22)16(12)23-11/h2-5,17-20,22H,1H3
InChIKeyNCWLTPKGFNPAMP-UHFFFAOYSA-N
XLogP2.27
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one?
The IUPAC name of 3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one (CID 11537197) is 3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one.
What is the SMILES notation for 3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one?
The canonical SMILES for 3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one is Cc1c(O)cc2oc3c(c(=O)c2c1O)-c1ccc(O)cc1OC3O.
What is the InChIKey of 3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one?
The InChIKey is NCWLTPKGFNPAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O7/c1-6-9(19)5-11-13(14(6)20)15(21)12-8-3-2-7(18)4-10(8)24-17(22)16(12)23-11/h2-5,17-20,22H,1H3.
What are the key properties of 3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one?
3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one has a molecular weight of 328.28 g/mol, XLogP of 2.27, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one is sourced from PubChem (CID 11537197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).