1,2,3,4-tetrahydroquinolin-3-ylmethanol

C10H13NO — CID 12662987

IUPAC1,2,3,4-tetrahydroquinolin-3-ylmethanol
SMILESOCC1CNc2ccccc2C1
InChIInChI=1S/C10H13NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-4,8,11-12H,5-7H2
InChIKeyPWWRXANDKQBKRW-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.26
Rot. Bonds1

About 1,2,3,4-tetrahydroquinolin-3-ylmethanol

1,2,3,4-tetrahydroquinolin-3-ylmethanol (PubChem CID 12662987) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-3-ylmethanol.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-3-ylmethanol
PubChem CID12662987
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1,2,3,4-tetrahydroquinolin-3-ylmethanol
SMILESOCC1CNc2ccccc2C1
InChIInChI=1S/C10H13NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-4,8,11-12H,5-7H2
InChIKeyPWWRXANDKQBKRW-UHFFFAOYSA-N
XLogP1.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-Tetrahydroquinolin-3-ol
CID 12542541
(8-Fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanol
CID 24265810
(1,2,3,4-Tetrahydroquinolin-7-yl)methanol
CID 66723433
2-(1,2,3,4-Tetrahydroquinolin-2-yl)ethan-1-ol
CID 85930828
2,3,4,5-tetrahydro-1H-1-benzazepin-3-ol
CID 129940189
2-(Hydroxymethyl)-1,2,3,4-tetrahydroquinolin-3-ol
CID 137640319
2-(2,3-dihydro-1H-indol-3-yl)ethanol
CID 23009356
1,2,3,4-Tetrahydroquinolin-4-ol
CID 287390
2-(1,2,3,4-Tetrahydroquinolin-4-yl)acetic acid hydrochloride
CID 137951193
(2S)-1,2,3,4-Tetrahydro-2-quinolinemethanol
CID 10103467
2-methyl-1-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]propan-2-ol
CID 11680045
4-(3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol
CID 12123753

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-3-ylmethanol?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-3-ylmethanol (CID 12662987) is 1,2,3,4-tetrahydroquinolin-3-ylmethanol.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-3-ylmethanol?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-3-ylmethanol is OCC1CNc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-3-ylmethanol?
The InChIKey is PWWRXANDKQBKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-4,8,11-12H,5-7H2.
What are the key properties of 1,2,3,4-tetrahydroquinolin-3-ylmethanol?
1,2,3,4-tetrahydroquinolin-3-ylmethanol has a molecular weight of 163.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-3-ylmethanol is sourced from PubChem (CID 12662987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).