4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol

C18H17NO3 — CID 101394802

IUPAC4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol
SMILESCOc1cc(Cc2nccc3ccccc23)cc(OC)c1O
InChIInChI=1S/C18H17NO3/c1-21-16-10-12(11-17(22-2)18(16)20)9-15-14-6-4-3-5-13(14)7-8-19-15/h3-8,10-11,20H,9H2,1-2H3
InChIKeyZYMFWIQDLPARNM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.55
Rot. Bonds4

About 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol

4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol (PubChem CID 101394802) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol
PubChem CID101394802
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol
SMILESCOc1cc(Cc2nccc3ccccc23)cc(OC)c1O
InChIInChI=1S/C18H17NO3/c1-21-16-10-12(11-17(22-2)18(16)20)9-15-14-6-4-3-5-13(14)7-8-19-15/h3-8,10-11,20H,9H2,1-2H3
InChIKeyZYMFWIQDLPARNM-UHFFFAOYSA-N
XLogP3.55
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]isoquinoline
CID 13463308
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol
CID 174897371
1-[(4-ethylphenyl)methyl]isoquinoline
CID 59715703
6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline
CID 66606569
2-benzyl-3,4-dimethoxypyridine
CID 141149610
2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol
CID 626378
7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline
CID 11995264
6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline
CID 66602778
1-[[2-(isoquinolin-1-ylmethyl)phenyl]methyl]isoquinoline
CID 23631798
1-benzylisoquinoline;1H-pyrrole
CID 175525333
1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline
CID 153397750
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723

Frequently Asked Questions

What is the IUPAC name of 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol (CID 101394802) is 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol is COc1cc(Cc2nccc3ccccc23)cc(OC)c1O.
What is the InChIKey of 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol?
The InChIKey is ZYMFWIQDLPARNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-16-10-12(11-17(22-2)18(16)20)9-15-14-6-4-3-5-13(14)7-8-19-15/h3-8,10-11,20H,9H2,1-2H3.
What are the key properties of 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol?
4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol has a molecular weight of 295.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol is sourced from PubChem (CID 101394802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).