2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol

C17H20NO2+ — CID 7444846

IUPAC2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol
SMILESCOc1cccc(C[NH+]2CCc3ccccc3C2)c1O
InChIInChI=1S/C17H19NO2/c1-20-16-8-4-7-15(17(16)19)12-18-10-9-13-5-2-3-6-14(13)11-18/h2-8,19H,9-12H2,1H3/p+1
InChIKeyPDTWQCNZTZEEIZ-UHFFFAOYSA-O
MW270.35 g/mol
LogP1.54
Rot. Bonds3

About 2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol

2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol (PubChem CID 7444846) has the molecular formula C17H20NO2+ and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol
PubChem CID7444846
Molecular FormulaC17H20NO2+
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol
SMILESCOc1cccc(C[NH+]2CCc3ccccc3C2)c1O
InChIInChI=1S/C17H19NO2/c1-20-16-8-4-7-15(17(16)19)12-18-10-9-13-5-2-3-6-14(13)11-18/h2-8,19H,9-12H2,1H3/p+1
InChIKeyPDTWQCNZTZEEIZ-UHFFFAOYSA-O
XLogP1.54
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7439429
2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxyphenol
CID 7440971
ethane;2-methoxy-6-propylphenol
CID 142869062
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
6,7-dimethoxy-2-(pyren-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7444912
2-(1H-indol-3-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 2057057
1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide
CID 6944701
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol
CID 2223714
2-heptadecyl-6-methoxyphenol
CID 10713705
2,6-ditert-butyl-4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol
CID 7446306
(2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7263976
2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818063

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol?
The IUPAC name of 2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol (CID 7444846) is 2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol.
What is the SMILES notation for 2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol?
The canonical SMILES for 2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol is COc1cccc(C[NH+]2CCc3ccccc3C2)c1O.
What is the InChIKey of 2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol?
The InChIKey is PDTWQCNZTZEEIZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19NO2/c1-20-16-8-4-7-15(17(16)19)12-18-10-9-13-5-2-3-6-14(13)11-18/h2-8,19H,9-12H2,1H3/p+1.
What are the key properties of 2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol?
2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol has a molecular weight of 270.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol is sourced from PubChem (CID 7444846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).