6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol

C10H13NO2 — CID 84656926

IUPAC6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
SMILESCOc1ccc2c(c1O)CCCN2
InChIInChI=1S/C10H13NO2/c1-13-9-5-4-8-7(10(9)12)3-2-6-11-8/h4-5,11-12H,2-3,6H2,1H3
InChIKeyBMWHPXKRGBDTFH-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.76
Rot. Bonds1

About 6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol

6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol (PubChem CID 84656926) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
PubChem CID84656926
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
SMILESCOc1ccc2c(c1O)CCCN2
InChIInChI=1S/C10H13NO2/c1-13-9-5-4-8-7(10(9)12)3-2-6-11-8/h4-5,11-12H,2-3,6H2,1H3
InChIKeyBMWHPXKRGBDTFH-UHFFFAOYSA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667978
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
6-bromo-7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 67827017
5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 84675022
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
CID 81214445
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82158148
N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide
CID 165450684
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224481

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol (CID 84656926) is 6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol is COc1ccc2c(c1O)CCCN2.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol?
The InChIKey is BMWHPXKRGBDTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-9-5-4-8-7(10(9)12)3-2-6-11-8/h4-5,11-12H,2-3,6H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol?
6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol has a molecular weight of 179.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol is sourced from PubChem (CID 84656926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).