4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione

C11H12O4 — CID 54676318

IUPAC4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
SMILESCC1(C)CC(=O)c2c(O)cc(=O)oc2C1
InChIInChI=1S/C11H12O4/c1-11(2)4-7(13)10-6(12)3-9(14)15-8(10)5-11/h3,12H,4-5H2,1-2H3
InChIKeyDGRYCYFPFHXVEL-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.50
Rot. Bonds

About 4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione

4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione (PubChem CID 54676318) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
PubChem CID54676318
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
SMILESCC1(C)CC(=O)c2c(O)cc(=O)oc2C1
InChIInChI=1S/C11H12O4/c1-11(2)4-7(13)10-6(12)3-9(14)15-8(10)5-11/h3,12H,4-5H2,1-2H3
InChIKeyDGRYCYFPFHXVEL-UHFFFAOYSA-N
XLogP1.50
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione?
The IUPAC name of 4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione (CID 54676318) is 4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione.
What is the SMILES notation for 4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione?
The canonical SMILES for 4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione is CC1(C)CC(=O)c2c(O)cc(=O)oc2C1.
What is the InChIKey of 4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione?
The InChIKey is DGRYCYFPFHXVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-11(2)4-7(13)10-6(12)3-9(14)15-8(10)5-11/h3,12H,4-5H2,1-2H3.
What are the key properties of 4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione?
4-hydroxy-7,7-dimethyl-6,8-dihydrochromene-2,5-dione has a molecular weight of 208.21 g/mol, XLogP of 1.50, 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-6,8-dihydrochromene-2,5-dione is sourced from PubChem (CID 54676318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).