7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol

C12H17NO2 — CID 121000209

IUPAC7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc2c(c1C)CN(C)CC2O
InChIInChI=1S/C12H17NO2/c1-8-10-6-13(2)7-11(14)9(10)4-5-12(8)15-3/h4-5,11,14H,6-7H2,1-3H3
InChIKeyNMWZMHMUHNQISD-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.48
Rot. Bonds1

About 7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol

7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 121000209) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID121000209
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc2c(c1C)CN(C)CC2O
InChIInChI=1S/C12H17NO2/c1-8-10-6-13(2)7-11(14)9(10)4-5-12(8)15-3/h4-5,11,14H,6-7H2,1-3H3
InChIKeyNMWZMHMUHNQISD-UHFFFAOYSA-N
XLogP1.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol (CID 121000209) is 7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol is COc1ccc2c(c1C)CN(C)CC2O.
What is the InChIKey of 7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is NMWZMHMUHNQISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-10-6-13(2)7-11(14)9(10)4-5-12(8)15-3/h4-5,11,14H,6-7H2,1-3H3.
What are the key properties of 7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol?
7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 207.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 121000209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).