2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one

C11H12O7 — CID 54429509

IUPAC2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one
SMILESCOc1c(O)c(C)c(O)c2c1OC(O)C(O)C2=O
InChIInChI=1S/C11H12O7/c1-3-5(12)4-7(14)8(15)11(16)18-9(4)10(17-2)6(3)13/h8,11-13,15-16H,1-2H3
InChIKeyWGMHBCACEVOENY-UHFFFAOYSA-N
MW256.21 g/mol
LogP-0.33
Rot. Bonds1

About 2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one

2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 54429509) has the molecular formula C11H12O7 and a molecular weight of 256.21 g/mol. Its IUPAC name is 2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one
PubChem CID54429509
Molecular FormulaC11H12O7
Molecular Weight256.21 g/mol
Exact Mass256.06
IUPAC Name2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one
SMILESCOc1c(O)c(C)c(O)c2c1OC(O)C(O)C2=O
InChIInChI=1S/C11H12O7/c1-3-5(12)4-7(14)8(15)11(16)18-9(4)10(17-2)6(3)13/h8,11-13,15-16H,1-2H3
InChIKeyWGMHBCACEVOENY-UHFFFAOYSA-N
XLogP-0.33
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one (CID 54429509) is 2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one is COc1c(O)c(C)c(O)c2c1OC(O)C(O)C2=O.
What is the InChIKey of 2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is WGMHBCACEVOENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O7/c1-3-5(12)4-7(14)8(15)11(16)18-9(4)10(17-2)6(3)13/h8,11-13,15-16H,1-2H3.
What are the key properties of 2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one?
2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 256.21 g/mol, XLogP of -0.33, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetrahydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 54429509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).