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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Related Compounds

2,2,8,8-tetramethylpyrano[3,2-g]chromen-5-ol
CID 86035847
7,7-dimethyl-8-oxatetracyclo[24.2.2.02,11.04,9]triaconta-1(28),2,4(9),5,10,26,29-heptaene-3,28,29-triol
CID 24761005
(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163070313
(7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163019968
(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 71473387
5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
CID 102295970
5-hydroxy-7,8,9,10-tetramethoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
CID 155528646
1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone
CID 13462851
17,18-dimethoxy-7,7-dimethyl-2,8,22-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
CID 89257140
5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one
CID 139030642
6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 5479541
3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 102440104

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).