2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol

C18H17NO3 — CID 626378

IUPAC2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol
SMILESCOc1ccc2c(Cc3cccc(OC)c3O)nccc2c1
InChIInChI=1S/C18H17NO3/c1-21-14-6-7-15-12(10-14)8-9-19-16(15)11-13-4-3-5-17(22-2)18(13)20/h3-10,20H,11H2,1-2H3
InChIKeyYILRXNPWCZTDPU-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.55
Rot. Bonds4

About 2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol

2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol (PubChem CID 626378) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol
PubChem CID626378
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol
SMILESCOc1ccc2c(Cc3cccc(OC)c3O)nccc2c1
InChIInChI=1S/C18H17NO3/c1-21-14-6-7-15-12(10-14)8-9-19-16(15)11-13-4-3-5-17(22-2)18(13)20/h3-10,20H,11H2,1-2H3
InChIKeyYILRXNPWCZTDPU-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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol?
The IUPAC name of 2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol (CID 626378) is 2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol is COc1ccc2c(Cc3cccc(OC)c3O)nccc2c1.
What is the InChIKey of 2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol?
The InChIKey is YILRXNPWCZTDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-14-6-7-15-12(10-14)8-9-19-16(15)11-13-4-3-5-17(22-2)18(13)20/h3-10,20H,11H2,1-2H3.
What are the key properties of 2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol?
2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol 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 2-methoxy-6-[(6-methoxyisoquinolin-1-yl)methyl]phenol is sourced from PubChem (CID 626378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).