isoquinolin-1-yl-(4-methoxyphenyl)methanol

C17H15NO2 — CID 4211286

IUPACisoquinolin-1-yl-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2nccc3ccccc23)cc1
InChIInChI=1S/C17H15NO2/c1-20-14-8-6-13(7-9-14)17(19)16-15-5-3-2-4-12(15)10-11-18-16/h2-11,17,19H,1H3
InChIKeyDGZKFYKSDDZNSG-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.33
Rot. Bonds3

About isoquinolin-1-yl-(4-methoxyphenyl)methanol

isoquinolin-1-yl-(4-methoxyphenyl)methanol (PubChem CID 4211286) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is isoquinolin-1-yl-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Nameisoquinolin-1-yl-(4-methoxyphenyl)methanol
PubChem CID4211286
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Nameisoquinolin-1-yl-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2nccc3ccccc23)cc1
InChIInChI=1S/C17H15NO2/c1-20-14-8-6-13(7-9-14)17(19)16-15-5-3-2-4-12(15)10-11-18-16/h2-11,17,19H,1H3
InChIKeyDGZKFYKSDDZNSG-UHFFFAOYSA-N
XLogP3.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
CID 125482431
(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
CID 53321045
(4-butyl-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 59715624
(3,5-dimethylphenyl)-isoquinolin-1-ylmethanol
CID 63948839
(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
(S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol
CID 162657764
(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 82792775
[(S)-isoquinolin-1-yl-(4-methoxyphenyl)methyl] benzoate
CID 1241353
isoquinolin-1-ylmethanediol
CID 57261748
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
1-isoquinolin-1-yl-4-(methylamino)butane-1,2-diol
CID 171890434

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-(4-methoxyphenyl)methanol?
The IUPAC name of isoquinolin-1-yl-(4-methoxyphenyl)methanol (CID 4211286) is isoquinolin-1-yl-(4-methoxyphenyl)methanol.
What is the SMILES notation for isoquinolin-1-yl-(4-methoxyphenyl)methanol?
The canonical SMILES for isoquinolin-1-yl-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2nccc3ccccc23)cc1.
What is the InChIKey of isoquinolin-1-yl-(4-methoxyphenyl)methanol?
The InChIKey is DGZKFYKSDDZNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-14-8-6-13(7-9-14)17(19)16-15-5-3-2-4-12(15)10-11-18-16/h2-11,17,19H,1H3.
What are the key properties of isoquinolin-1-yl-(4-methoxyphenyl)methanol?
isoquinolin-1-yl-(4-methoxyphenyl)methanol has a molecular weight of 265.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-(4-methoxyphenyl)methanol is sourced from PubChem (CID 4211286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).