9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one

C14H14O4 — CID 600670

IUPAC9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2CC1O
InChIInChI=1S/C14H14O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6,11,15H,7H2,1-2H3
InChIKeyUJSHBYQGQRPVNO-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.87
Rot. Bonds

About 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one

9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one (PubChem CID 600670) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one.

Molecular Properties

Compound Name9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one
PubChem CID600670
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2CC1O
InChIInChI=1S/C14H14O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6,11,15H,7H2,1-2H3
InChIKeyUJSHBYQGQRPVNO-UHFFFAOYSA-N
XLogP1.87
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one?
The IUPAC name of 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one (CID 600670) is 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one.
What is the SMILES notation for 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one?
The canonical SMILES for 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one is CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O.
What is the InChIKey of 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one?
The InChIKey is UJSHBYQGQRPVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6,11,15H,7H2,1-2H3.
What are the key properties of 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one?
9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one has a molecular weight of 246.26 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one is sourced from PubChem (CID 600670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).