4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol

C17H15NO3 — CID 135461648

IUPAC4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol
SMILESCOc1ccc2c(Cc3ccc(O)cc3)cncc2c1O
InChIInChI=1S/C17H15NO3/c1-21-16-7-6-14-12(9-18-10-15(14)17(16)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3
InChIKeyXNSWOPJXUIMZKZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.25
Rot. Bonds3

About 4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol

4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol (PubChem CID 135461648) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol
PubChem CID135461648
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol
SMILESCOc1ccc2c(Cc3ccc(O)cc3)cncc2c1O
InChIInChI=1S/C17H15NO3/c1-21-16-7-6-14-12(9-18-10-15(14)17(16)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3
InChIKeyXNSWOPJXUIMZKZ-UHFFFAOYSA-N
XLogP3.25
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol?
The IUPAC name of 4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol (CID 135461648) is 4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol is COc1ccc2c(Cc3ccc(O)cc3)cncc2c1O.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol?
The InChIKey is XNSWOPJXUIMZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-16-7-6-14-12(9-18-10-15(14)17(16)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3.
What are the key properties of 4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol?
4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol has a molecular weight of 281.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol is sourced from PubChem (CID 135461648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).