[2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol

C17H15NO3 — CID 107713409

IUPAC[2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol
SMILESCOc1ccc2ccnc(Oc3ccccc3CO)c2c1
InChIInChI=1S/C17H15NO3/c1-20-14-7-6-12-8-9-18-17(15(12)10-14)21-16-5-3-2-4-13(16)11-19/h2-10,19H,11H2,1H3
InChIKeyPIFZEDOZJJNQSD-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.53
Rot. Bonds4

About [2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol

[2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol (PubChem CID 107713409) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol
PubChem CID107713409
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol
SMILESCOc1ccc2ccnc(Oc3ccccc3CO)c2c1
InChIInChI=1S/C17H15NO3/c1-20-14-7-6-12-8-9-18-17(15(12)10-14)21-16-5-3-2-4-13(16)11-19/h2-10,19H,11H2,1H3
InChIKeyPIFZEDOZJJNQSD-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

[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63653116
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265
[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541270
[2-[(3-methyl-2-pyridinyl)oxy]phenyl]methanol
CID 107713381
[2-(3-aminopyrazin-2-yl)oxyphenyl]methanol
CID 102988200
7-methoxy-1-phenylisoquinoline
CID 86087026
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
[2-[(4-amino-2-pyridinyl)oxy]phenyl]methanol
CID 63653249
1-ethyl-7-methoxyisoquinoline
CID 119092688
(2-(111C)methoxyphenyl)methanol
CID 59897789
[2-(2-ethylphenoxy)-3-pyridinyl]methanol
CID 61257757

Frequently Asked Questions

What is the IUPAC name of [2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
The IUPAC name of [2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol (CID 107713409) is [2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol.
What is the SMILES notation for [2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
The canonical SMILES for [2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol is COc1ccc2ccnc(Oc3ccccc3CO)c2c1.
What is the InChIKey of [2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
The InChIKey is PIFZEDOZJJNQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-14-7-6-12-8-9-18-17(15(12)10-14)21-16-5-3-2-4-13(16)11-19/h2-10,19H,11H2,1H3.
What are the key properties of [2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
[2-(7-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 [2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol is sourced from PubChem (CID 107713409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).