1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol

C17H15NO3 — CID 3085285

IUPAC1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
SMILESCOc1cc2ccnc(Cc3ccc(O)cc3)c2cc1O
InChIInChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3
InChIKeyXUCRLUHFLBPVRO-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.25
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol

1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol (PubChem CID 3085285) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
PubChem CID3085285
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
SMILESCOc1cc2ccnc(Cc3ccc(O)cc3)c2cc1O
InChIInChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3
InChIKeyXUCRLUHFLBPVRO-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 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol (CID 3085285) is 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol is COc1cc2ccnc(Cc3ccc(O)cc3)c2cc1O.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol?
The InChIKey is XUCRLUHFLBPVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol?
1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-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 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol is sourced from PubChem (CID 3085285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).