8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol

C11H14O3 — CID 10262037

IUPAC8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol
SMILESCOc1cc(O)cc2c1COC(C)C2
InChIInChI=1S/C11H14O3/c1-7-3-8-4-9(12)5-11(13-2)10(8)6-14-7/h4-5,7,12H,3,6H2,1-2H3
InChIKeyPQSAZKPYHXPOFX-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.86
Rot. Bonds1

About 8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol

8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol (PubChem CID 10262037) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol.

Molecular Properties

Compound Name8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol
PubChem CID10262037
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol
SMILESCOc1cc(O)cc2c1COC(C)C2
InChIInChI=1S/C11H14O3/c1-7-3-8-4-9(12)5-11(13-2)10(8)6-14-7/h4-5,7,12H,3,6H2,1-2H3
InChIKeyPQSAZKPYHXPOFX-UHFFFAOYSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-8-yl)octan-1-one
CID 54123072
5-bromo-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-ol
CID 102145572
(1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10845999
8-methoxy-3,7-dimethyl-6-nonoxy-3,4-dihydro-1H-isochromene
CID 10735472
4-methoxybenzene-1,3-diol;2-methyloxirane
CID 131711455
(4S)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
CID 14562696
(4S)-7,14-dihydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
CID 177405395
(3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol
CID 15460268
(3S)-5,9,10-trimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene
CID 135023024
(9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol
CID 73212405
(3S,4S)-6-[(3S)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
CID 101085768
3-chloro-4-cyclopropyl-5-methoxyphenol
CID 84668563

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol?
The IUPAC name of 8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol (CID 10262037) is 8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol.
What is the SMILES notation for 8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol?
The canonical SMILES for 8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol is COc1cc(O)cc2c1COC(C)C2.
What is the InChIKey of 8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol?
The InChIKey is PQSAZKPYHXPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-3-8-4-9(12)5-11(13-2)10(8)6-14-7/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol?
8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol has a molecular weight of 194.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol is sourced from PubChem (CID 10262037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).