6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one

C13H12O4 — CID 102199129

IUPAC6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one
SMILESCC1CC(=O)C2=C1Oc1cc(O)cc(O)c1C2
InChIInChI=1S/C13H12O4/c1-6-2-10(15)9-5-8-11(16)3-7(14)4-12(8)17-13(6)9/h3-4,6,14,16H,2,5H2,1H3
InChIKeyLALQREGILMIJSW-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.90
Rot. Bonds

About 6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one

6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one (PubChem CID 102199129) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one.

Molecular Properties

Compound Name6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one
PubChem CID102199129
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one
SMILESCC1CC(=O)C2=C1Oc1cc(O)cc(O)c1C2
InChIInChI=1S/C13H12O4/c1-6-2-10(15)9-5-8-11(16)3-7(14)4-12(8)17-13(6)9/h3-4,6,14,16H,2,5H2,1H3
InChIKeyLALQREGILMIJSW-UHFFFAOYSA-N
XLogP1.90
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-3,5,7-trihydroxy-3,4-dihydrochromen-2-ylidene]cyclohexane-1,2,3-trione
CID 91070591
2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid
CID 146197616
5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol
CID 162376835
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-one
CID 70318924
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 58178438
2,3-dihydro-1-benzofuran-4,6-diol;ethane
CID 153353462
[5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-3-yl] 3,4,5-trihydroxybenzoate
CID 88590547
2-[[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy]-6-methyloxane-3,4,5-triol
CID 162869591
(1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one
CID 102199128

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one?
The IUPAC name of 6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one (CID 102199129) is 6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one.
What is the SMILES notation for 6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one?
The canonical SMILES for 6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one is CC1CC(=O)C2=C1Oc1cc(O)cc(O)c1C2.
What is the InChIKey of 6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one?
The InChIKey is LALQREGILMIJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-6-2-10(15)9-5-8-11(16)3-7(14)4-12(8)17-13(6)9/h3-4,6,14,16H,2,5H2,1H3.
What are the key properties of 6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one?
6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one has a molecular weight of 232.23 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one is sourced from PubChem (CID 102199129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).