(1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one

C13H12O4 — CID 102595350

IUPAC(1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
SMILESCc1cc(O)c2c(=O)oc3c(c2c1)[C@@H](O)CC3
InChIInChI=1S/C13H12O4/c1-6-4-7-11-8(14)2-3-10(11)17-13(16)12(7)9(15)5-6/h4-5,8,14-15H,2-3H2,1H3/t8-/m0/s1
InChIKeyDMYRPFPADKEUEO-QMMMGPOBSA-N
MW232.23 g/mol
LogP1.79
Rot. Bonds

About (1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one

(1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one (PubChem CID 102595350) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is (1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one.

Molecular Properties

Compound Name(1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
PubChem CID102595350
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name(1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
SMILESCc1cc(O)c2c(=O)oc3c(c2c1)[C@@H](O)CC3
InChIInChI=1S/C13H12O4/c1-6-4-7-11-8(14)2-3-10(11)17-13(16)12(7)9(15)5-6/h4-5,8,14-15H,2-3H2,1H3/t8-/m0/s1
InChIKeyDMYRPFPADKEUEO-QMMMGPOBSA-N
XLogP1.79
TPSA70.67 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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate
CID 162982895
1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
CID 10966363
(1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
CID 72707185
6,8-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-ol
CID 65333002
8-hydroxy-2,3,6-trimethylchromen-4-one
CID 121010232
5,7-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 22463171
4,5-dihydroxy-7-methyl-3-phenylchromen-2-one
CID 174942178
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
CID 167630896
methyl 2,3,8-trihydroxy-6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
CID 163033247
methyl (1S,2S,3R)-2,3,8-trihydroxy-6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
CID 163033248
3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 164598328
methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione
CID 158660915

Frequently Asked Questions

What is the IUPAC name of (1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one?
The IUPAC name of (1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one (CID 102595350) is (1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one.
What is the SMILES notation for (1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one?
The canonical SMILES for (1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one is Cc1cc(O)c2c(=O)oc3c(c2c1)[C@@H](O)CC3.
What is the InChIKey of (1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one?
The InChIKey is DMYRPFPADKEUEO-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12O4/c1-6-4-7-11-8(14)2-3-10(11)17-13(16)12(7)9(15)5-6/h4-5,8,14-15H,2-3H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one?
(1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one has a molecular weight of 232.23 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one is sourced from PubChem (CID 102595350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).