5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one

C13H12O4 — CID 636462

IUPAC5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one
SMILESCC1(C)C=Cc2c(cc3c(c2O)C(=O)OC3)O1
InChIInChI=1S/C13H12O4/c1-13(2)4-3-8-9(17-13)5-7-6-16-12(15)10(7)11(8)14/h3-5,14H,6H2,1-2H3
InChIKeyZYOUEEMPKPNVQW-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.25
Rot. Bonds

About 5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one

5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one (PubChem CID 636462) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one.

Molecular Properties

Compound Name5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one
PubChem CID636462
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one
SMILESCC1(C)C=Cc2c(cc3c(c2O)C(=O)OC3)O1
InChIInChI=1S/C13H12O4/c1-13(2)4-3-8-9(17-13)5-7-6-16-12(15)10(7)11(8)14/h3-5,14H,6H2,1-2H3
InChIKeyZYOUEEMPKPNVQW-UHFFFAOYSA-N
XLogP2.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one?
The IUPAC name of 5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one (CID 636462) is 5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one.
What is the SMILES notation for 5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one?
The canonical SMILES for 5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one is CC1(C)C=Cc2c(cc3c(c2O)C(=O)OC3)O1.
What is the InChIKey of 5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one?
The InChIKey is ZYOUEEMPKPNVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-13(2)4-3-8-9(17-13)5-7-6-16-12(15)10(7)11(8)14/h3-5,14H,6H2,1-2H3.
What are the key properties of 5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one?
5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one has a molecular weight of 232.23 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2-dimethyl-8H-furo[3,4-g]chromen-6-one is sourced from PubChem (CID 636462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).