2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol

C12H17NO — CID 15360241

IUPAC2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol
SMILESCC(C)C1CCc2cccc(O)c2N1
InChIInChI=1S/C12H17NO/c1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10/h3-5,8,10,13-14H,6-7H2,1-2H3
InChIKeyIIWQJFXMBRKGPO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.77
Rot. Bonds1

About 2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol

2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol (PubChem CID 15360241) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol
PubChem CID15360241
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol
SMILESCC(C)C1CCc2cccc(O)c2N1
InChIInChI=1S/C12H17NO/c1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10/h3-5,8,10,13-14H,6-7H2,1-2H3
InChIKeyIIWQJFXMBRKGPO-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
CID 115015319
(6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol
CID 122377427
2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol
CID 65041637
3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol
CID 84732147
1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 83358374
(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 15629517
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 142738926
N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide
CID 55153267
(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol
CID 129390412
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol?
The IUPAC name of 2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol (CID 15360241) is 2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol.
What is the SMILES notation for 2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol?
The canonical SMILES for 2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol is CC(C)C1CCc2cccc(O)c2N1.
What is the InChIKey of 2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol?
The InChIKey is IIWQJFXMBRKGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10/h3-5,8,10,13-14H,6-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol?
2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol has a molecular weight of 191.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol is sourced from PubChem (CID 15360241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).