[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol

C17H15NO3 — CID 106541270

IUPAC[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
SMILESCOc1ccc2c(Oc3cccc(CO)c3)nccc2c1
InChIInChI=1S/C17H15NO3/c1-20-14-5-6-16-13(10-14)7-8-18-17(16)21-15-4-2-3-12(9-15)11-19/h2-10,19H,11H2,1H3
InChIKeyRGZANWIDWGMWNT-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.53
Rot. Bonds4

About [3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol

[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol (PubChem CID 106541270) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
PubChem CID106541270
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
SMILESCOc1ccc2c(Oc3cccc(CO)c3)nccc2c1
InChIInChI=1S/C17H15NO3/c1-20-14-5-6-16-13(10-14)7-8-18-17(16)21-15-4-2-3-12(9-15)11-19/h2-10,19H,11H2,1H3
InChIKeyRGZANWIDWGMWNT-UHFFFAOYSA-N
XLogP3.53
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265
1-(4-iodophenoxy)-6-methoxyisoquinoline
CID 106536960
(3-methoxyphenyl)(113C)methanol
CID 11593446
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
[2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 107713409
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61255053
2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
CID 106540123
4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540081
methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
CID 91163567
4-chloro-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540158
4-bromo-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540208

Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
The IUPAC name of [3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol (CID 106541270) is [3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol.
What is the SMILES notation for [3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
The canonical SMILES for [3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol is COc1ccc2c(Oc3cccc(CO)c3)nccc2c1.
What is the InChIKey of [3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
The InChIKey is RGZANWIDWGMWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-14-5-6-16-13(10-14)7-8-18-17(16)21-15-4-2-3-12(9-15)11-19/h2-10,19H,11H2,1H3.
What are the key properties of [3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol has a molecular weight of 281.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol is sourced from PubChem (CID 106541270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).