1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol

C13H19NO — CID 82278489

IUPAC1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol
SMILESCC1c2ccc(O)cc2C(C)(C)CN1C
InChIInChI=1S/C13H19NO/c1-9-11-6-5-10(15)7-12(11)13(2,3)8-14(9)4/h5-7,9,15H,8H2,1-4H3
InChIKeyZPXAPNDBOCFZSL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds

About 1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol

1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol (PubChem CID 82278489) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol.

Molecular Properties

Compound Name1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol
PubChem CID82278489
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol
SMILESCC1c2ccc(O)cc2C(C)(C)CN1C
InChIInChI=1S/C13H19NO/c1-9-11-6-5-10(15)7-12(11)13(2,3)8-14(9)4/h5-7,9,15H,8H2,1-4H3
InChIKeyZPXAPNDBOCFZSL-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3-trimethyl-1,2-dihydroinden-5-ol
CID 18183555
(1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
CID 11183301
(1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol
CID 101072339
(1R,4S)-1,2,4-trimethyl-4-phenyl-1,3-dihydroisoquinoline
CID 11459393
(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 166025257
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol
CID 1250
(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
CID 76961759
(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538
(1S,9R,14R)-1,10,14-trimethyl-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 5493062
(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 95432710
methanol;2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 143977527
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460

Frequently Asked Questions

What is the IUPAC name of 1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol?
The IUPAC name of 1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol (CID 82278489) is 1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol.
What is the SMILES notation for 1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol?
The canonical SMILES for 1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol is CC1c2ccc(O)cc2C(C)(C)CN1C.
What is the InChIKey of 1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol?
The InChIKey is ZPXAPNDBOCFZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-11-6-5-10(15)7-12(11)13(2,3)8-14(9)4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol?
1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol has a molecular weight of 205.30 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol is sourced from PubChem (CID 82278489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).