(6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate

C15H14O5 — CID 162982895

IUPAC(6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate
SMILESCC(=O)OC1CCc2oc(=O)c3c(O)cc(C)cc3c21
InChIInChI=1S/C15H14O5/c1-7-5-9-13(10(17)6-7)15(18)20-12-4-3-11(14(9)12)19-8(2)16/h5-6,11,17H,3-4H2,1-2H3
InChIKeyFJRYQTQEJSGKMI-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.36
Rot. Bonds1

About (6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate

(6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate (PubChem CID 162982895) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is (6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate.

Molecular Properties

Compound Name(6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate
PubChem CID162982895
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate
SMILESCC(=O)OC1CCc2oc(=O)c3c(O)cc(C)cc3c21
InChIInChI=1S/C15H14O5/c1-7-5-9-13(10(17)6-7)15(18)20-12-4-3-11(14(9)12)19-8(2)16/h5-6,11,17H,3-4H2,1-2H3
InChIKeyFJRYQTQEJSGKMI-UHFFFAOYSA-N
XLogP2.36
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1,6-dihydroxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
CID 102595350
1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
CID 10966363
(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate
CID 174515763
(2-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648
methyl (1S,2S,3R)-2,3,8-trihydroxy-6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
CID 163033248
methyl 2,3,8-trihydroxy-6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
CID 163033247
[(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate
CID 162420340
(3-iodo-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl) acetate
CID 11509201
[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176
[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
CID 102427933
methyl 1,3,8-trihydroxy-6-methyl-9-oxo-2,3-dihydrocyclopenta[b]chromene-1-carboxylate
CID 162980907
8-hydroxy-2,3,6-trimethylchromen-4-one
CID 121010232

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate?
The IUPAC name of (6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate (CID 162982895) is (6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate.
What is the SMILES notation for (6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate?
The canonical SMILES for (6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate is CC(=O)OC1CCc2oc(=O)c3c(O)cc(C)cc3c21.
What is the InChIKey of (6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate?
The InChIKey is FJRYQTQEJSGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-7-5-9-13(10(17)6-7)15(18)20-12-4-3-11(14(9)12)19-8(2)16/h5-6,11,17H,3-4H2,1-2H3.
What are the key properties of (6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate?
(6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate has a molecular weight of 274.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate is sourced from PubChem (CID 162982895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).