7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol

C11H13NO2 — CID 605727

IUPAC7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN=C2C
InChIInChI=1S/C11H13NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-6,13H,3-4H2,1-2H3
InChIKeyIVLSEZMELCTWIF-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.77
Rot. Bonds1

About 7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol

7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol (PubChem CID 605727) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol.

Molecular Properties

Compound Name7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol
PubChem CID605727
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN=C2C
InChIInChI=1S/C11H13NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-6,13H,3-4H2,1-2H3
InChIKeyIVLSEZMELCTWIF-UHFFFAOYSA-N
XLogP1.77
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol?
The IUPAC name of 7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol (CID 605727) is 7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol.
What is the SMILES notation for 7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol?
The canonical SMILES for 7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol is COc1cc2c(cc1O)CCN=C2C.
What is the InChIKey of 7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol?
The InChIKey is IVLSEZMELCTWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol?
7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol has a molecular weight of 191.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol is sourced from PubChem (CID 605727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).