8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one

C12H14O5 — CID 15677559

IUPAC8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
SMILESCOc1cc(O)c2c(c1OC)CC(C)OC2=O
InChIInChI=1S/C12H14O5/c1-6-4-7-10(12(14)17-6)8(13)5-9(15-2)11(7)16-3/h5-6,13H,4H2,1-3H3
InChIKeyGQDAQYCCKGXUJP-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.51
Rot. Bonds2

About 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one

8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one (PubChem CID 15677559) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
PubChem CID15677559
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
SMILESCOc1cc(O)c2c(c1OC)CC(C)OC2=O
InChIInChI=1S/C12H14O5/c1-6-4-7-10(12(14)17-6)8(13)5-9(15-2)11(7)16-3/h5-6,13H,4H2,1-3H3
InChIKeyGQDAQYCCKGXUJP-UHFFFAOYSA-N
XLogP1.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-18-hydroxy-15,16-dimethoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8,9,10-tetrone
CID 91568889
(3S)-6-(3,7-dimethylocta-2,6-dienoxy)-8-hydroxy-5-methoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 162803519
7-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
CID 163116437
6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one
CID 102072097
(4S,5R)-18-hydroxy-15,16-dimethoxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8,9,10-tetrone
CID 91006230
(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
CID 71561208
(6Z,12E)-9,10,18-trihydroxy-15,16-dimethoxy-4,13-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 10223009
(3R)-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 132850138
5-bromo-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 11687510
(3S)-5-bromo-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 164517324
(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
CID 6024938
8,18-dihydroxy-15,16-dimethoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,9-dione
CID 75096976

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one?
The IUPAC name of 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one (CID 15677559) is 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one?
The canonical SMILES for 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one is COc1cc(O)c2c(c1OC)CC(C)OC2=O.
What is the InChIKey of 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one?
The InChIKey is GQDAQYCCKGXUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-6-4-7-10(12(14)17-6)8(13)5-9(15-2)11(7)16-3/h5-6,13H,4H2,1-3H3.
What are the key properties of 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one?
8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one has a molecular weight of 238.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 15677559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).