1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol

C17H19NO2 — CID 50915886

IUPAC1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
SMILESCOc1cccc(C2(C)NCCc3cc(O)ccc32)c1
InChIInChI=1S/C17H19NO2/c1-17(13-4-3-5-15(11-13)20-2)16-7-6-14(19)10-12(16)8-9-18-17/h3-7,10-11,18-19H,8-9H2,1-2H3
InChIKeyBDFRTMNDOUVDFV-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.81
Rot. Bonds2

About 1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol

1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol (PubChem CID 50915886) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
PubChem CID50915886
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
SMILESCOc1cccc(C2(C)NCCc3cc(O)ccc32)c1
InChIInChI=1S/C17H19NO2/c1-17(13-4-3-5-15(11-13)20-2)16-7-6-14(19)10-12(16)8-9-18-17/h3-7,10-11,18-19H,8-9H2,1-2H3
InChIKeyBDFRTMNDOUVDFV-UHFFFAOYSA-N
XLogP2.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dihydroxy-[4-(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)phenyl]azanium
CID 163152372
1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
CID 50916057
6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline
CID 10658967
6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 170992748
1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline
CID 15339033
2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride
CID 115036395
(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 10220811
5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol
CID 168876491
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
CID 84717936
spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol
CID 50915885
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol?
The IUPAC name of 1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol (CID 50915886) is 1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol is COc1cccc(C2(C)NCCc3cc(O)ccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol?
The InChIKey is BDFRTMNDOUVDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(13-4-3-5-15(11-13)20-2)16-7-6-14(19)10-12(16)8-9-18-17/h3-7,10-11,18-19H,8-9H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol?
1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol has a molecular weight of 269.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol is sourced from PubChem (CID 50915886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).