(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol

C11H15NO2 — CID 92954178

IUPAC(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
SMILESC[C@@H]1Cc2cc(O)c(O)cc2CN1C
InChIInChI=1S/C11H15NO2/c1-7-3-8-4-10(13)11(14)5-9(8)6-12(7)2/h4-5,7,13-14H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyKPZWDZWSZBGIGA-SSDOTTSWSA-N
MW193.25 g/mol
LogP1.47
Rot. Bonds

About (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol

(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol (PubChem CID 92954178) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
PubChem CID92954178
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
SMILESC[C@@H]1Cc2cc(O)c(O)cc2CN1C
InChIInChI=1S/C11H15NO2/c1-7-3-8-4-10(13)11(14)5-9(8)6-12(7)2/h4-5,7,13-14H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyKPZWDZWSZBGIGA-SSDOTTSWSA-N
XLogP1.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 95432710
2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 145380029
(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
7-ethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956299
[(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl] methyl carbonate
CID 69045444
2-ethyl-1,3-dihydroisoindole-5,6-diol
CID 22365543
5,6-dimethyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
CID 158165307
2,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol
CID 3029148
iodomethane;2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 23621205
2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 70688134
2-tert-butyl-5,6-dihydroxy-3H-isoindol-1-one
CID 118460130

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol?
The IUPAC name of (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol (CID 92954178) is (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol.
What is the SMILES notation for (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol?
The canonical SMILES for (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol is C[C@@H]1Cc2cc(O)c(O)cc2CN1C.
What is the InChIKey of (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol?
The InChIKey is KPZWDZWSZBGIGA-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-3-8-4-10(13)11(14)5-9(8)6-12(7)2/h4-5,7,13-14H,3,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol?
(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol has a molecular weight of 193.25 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol is sourced from PubChem (CID 92954178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).