(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol

C11H15NO — CID 95432710

IUPAC(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESC[C@@H]1Cc2cc(O)ccc2CN1C
InChIInChI=1S/C11H15NO/c1-8-5-10-6-11(13)4-3-9(10)7-12(8)2/h3-4,6,8,13H,5,7H2,1-2H3/t8-/m1/s1
InChIKeyXPMJTJCKARRATN-MRVPVSSYSA-N
MW177.25 g/mol
LogP1.77
Rot. Bonds

About (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol

(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 95432710) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID95432710
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESC[C@@H]1Cc2cc(O)ccc2CN1C
InChIInChI=1S/C11H15NO/c1-8-5-10-6-11(13)4-3-9(10)7-12(8)2/h3-4,6,8,13H,5,7H2,1-2H3/t8-/m1/s1
InChIKeyXPMJTJCKARRATN-MRVPVSSYSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 92954178
(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
CID 14548165
(2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl) hydrogen carbonate
CID 69042192
[(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl] methyl carbonate
CID 69045444
2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 145380029
2-bromo-1,3-dihydroisoindol-5-ol
CID 58602666
heptane;2-methyl-2,3-dihydro-1H-inden-5-ol
CID 144683949
2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-5-ol
CID 19799155
11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol
CID 142144674
2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol
CID 127033012
6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 58902236
7-ethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956299

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 95432710) is (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol is C[C@@H]1Cc2cc(O)ccc2CN1C.
What is the InChIKey of (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is XPMJTJCKARRATN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-10-6-11(13)4-3-9(10)7-12(8)2/h3-4,6,8,13H,5,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol?
(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 177.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 95432710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).