4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one

C13H14O4 — CID 20697552

IUPAC4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one
SMILESCC1(C)CCc2c(cc3c(c2O)C(=O)CO3)O1
InChIInChI=1S/C13H14O4/c1-13(2)4-3-7-9(17-13)5-10-11(12(7)15)8(14)6-16-10/h5,15H,3-4,6H2,1-2H3
InChIKeyHURKOFOVYRSXMC-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.07
Rot. Bonds

About 4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one

4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one (PubChem CID 20697552) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one.

Molecular Properties

Compound Name4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one
PubChem CID20697552
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one
SMILESCC1(C)CCc2c(cc3c(c2O)C(=O)CO3)O1
InChIInChI=1S/C13H14O4/c1-13(2)4-3-7-9(17-13)5-10-11(12(7)15)8(14)6-16-10/h5,15H,3-4,6H2,1-2H3
InChIKeyHURKOFOVYRSXMC-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one
CID 11623082
2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol
CID 118325055
(2R)-1-(5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methylbutan-1-one
CID 162870961
5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 15389226
2,2,5,6,7-pentamethyl-3,4-dihydrochromene
CID 58669353
10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),14,16(21)-pentaen-2-one
CID 123211790
(2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 42608049
1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)butan-1-one
CID 15587474
5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 101113077
(2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 162857768
4,6-dimethyl-1-benzofuran-3-one
CID 595599
5-[(2-chlorophenyl)methoxy]-2,2-dimethyl-3,4-dihydrochromene-7-carboxylic acid
CID 67482733

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one?
The IUPAC name of 4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one (CID 20697552) is 4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one.
What is the SMILES notation for 4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one?
The canonical SMILES for 4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one is CC1(C)CCc2c(cc3c(c2O)C(=O)CO3)O1.
What is the InChIKey of 4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one?
The InChIKey is HURKOFOVYRSXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-13(2)4-3-7-9(17-13)5-10-11(12(7)15)8(14)6-16-10/h5,15H,3-4,6H2,1-2H3.
What are the key properties of 4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one?
4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one has a molecular weight of 234.25 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one is sourced from PubChem (CID 20697552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).