4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride

C17H16ClNO3 — CID 135482744

IUPAC4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride
SMILESCOc1ccc2c(Cc3ccccc3O)cncc2c1O.Cl
InChIInChI=1S/C17H15NO3.ClH/c1-21-16-7-6-13-12(9-18-10-14(13)17(16)20)8-11-4-2-3-5-15(11)19;/h2-7,9-10,19-20H,8H2,1H3;1H
InChIKeyRTYDMASQFYUKAO-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.67
Rot. Bonds3

About 4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride

4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride (PubChem CID 135482744) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride
PubChem CID135482744
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride
SMILESCOc1ccc2c(Cc3ccccc3O)cncc2c1O.Cl
InChIInChI=1S/C17H15NO3.ClH/c1-21-16-7-6-13-12(9-18-10-14(13)17(16)20)8-11-4-2-3-5-15(11)19;/h2-7,9-10,19-20H,8H2,1H3;1H
InChIKeyRTYDMASQFYUKAO-UHFFFAOYSA-N
XLogP3.67
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol;hydrochloride
CID 135993811
4-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol;hydrochloride
CID 135993762
4-[(3-amino-4-ethoxy-5-methoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol;methane
CID 161062966
4-[[3,4-dimethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methyl]-7-ethoxyisoquinolin-8-ol;dihydrochloride
CID 135993789
4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-7-ethoxyisoquinolin-8-ol
CID 135993788
2-[(2-methoxyphenyl)methyl]naphthalen-1-ol
CID 15617840
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
2-methoxy-6-(quinolin-4-ylmethyl)phenol
CID 83131057
2,6-dimethoxy-3-(methylamino)phenol;hydrochloride
CID 19389315
10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol
CID 21417455
5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol
CID 123389699
2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol
CID 174910996

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride?
The IUPAC name of 4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride (CID 135482744) is 4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride?
The canonical SMILES for 4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride is COc1ccc2c(Cc3ccccc3O)cncc2c1O.Cl.
What is the InChIKey of 4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride?
The InChIKey is RTYDMASQFYUKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3.ClH/c1-21-16-7-6-13-12(9-18-10-14(13)17(16)20)8-11-4-2-3-5-15(11)19;/h2-7,9-10,19-20H,8H2,1H3;1H.
What are the key properties of 4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride?
4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride has a molecular weight of 317.77 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride is sourced from PubChem (CID 135482744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).