(8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one

C14H12O6 — CID 134140846

IUPAC(8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one
SMILESC[C@]1(CO)Oc2c(O)cc3ccc(=O)oc3c2C=C1O
InChIInChI=1S/C14H12O6/c1-14(6-15)10(17)5-8-12-7(2-3-11(18)19-12)4-9(16)13(8)20-14/h2-5,15-17H,6H2,1H3/t14-/m1/s1
InChIKeyBLDXYHZRFRHITH-CQSZACIVSA-N
MW276.24 g/mol
LogP1.54
Rot. Bonds1

About (8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one

(8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one (PubChem CID 134140846) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is (8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one.

Molecular Properties

Compound Name(8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one
PubChem CID134140846
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name(8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one
SMILESC[C@]1(CO)Oc2c(O)cc3ccc(=O)oc3c2C=C1O
InChIInChI=1S/C14H12O6/c1-14(6-15)10(17)5-8-12-7(2-3-11(18)19-12)4-9(16)13(8)20-14/h2-5,15-17H,6H2,1H3/t14-/m1/s1
InChIKeyBLDXYHZRFRHITH-CQSZACIVSA-N
XLogP1.54
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one?
The IUPAC name of (8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one (CID 134140846) is (8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one.
What is the SMILES notation for (8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one?
The canonical SMILES for (8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one is C[C@]1(CO)Oc2c(O)cc3ccc(=O)oc3c2C=C1O.
What is the InChIKey of (8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one?
The InChIKey is BLDXYHZRFRHITH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H12O6/c1-14(6-15)10(17)5-8-12-7(2-3-11(18)19-12)4-9(16)13(8)20-14/h2-5,15-17H,6H2,1H3/t14-/m1/s1.
What are the key properties of (8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one?
(8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one has a molecular weight of 276.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-6,9-dihydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one is sourced from PubChem (CID 134140846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).