1-(3-hydroxyphenyl)isoquinolin-6-ol

C15H11NO2 — CID 156892510

IUPAC1-(3-hydroxyphenyl)isoquinolin-6-ol
SMILESOc1cccc(-c2nccc3cc(O)ccc23)c1
InChIInChI=1S/C15H11NO2/c17-12-3-1-2-11(9-12)15-14-5-4-13(18)8-10(14)6-7-16-15/h1-9,17-18H
InChIKeyDCIHWPGCNFTMJO-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.31
Rot. Bonds1

About 1-(3-hydroxyphenyl)isoquinolin-6-ol

1-(3-hydroxyphenyl)isoquinolin-6-ol (PubChem CID 156892510) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)isoquinolin-6-ol.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)isoquinolin-6-ol
PubChem CID156892510
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name1-(3-hydroxyphenyl)isoquinolin-6-ol
SMILESOc1cccc(-c2nccc3cc(O)ccc23)c1
InChIInChI=1S/C15H11NO2/c17-12-3-1-2-11(9-12)15-14-5-4-13(18)8-10(14)6-7-16-15/h1-9,17-18H
InChIKeyDCIHWPGCNFTMJO-UHFFFAOYSA-N
XLogP3.31
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
7-Hydroxyquinoline
CID 135426866
5-Methyl-8-hydroxyquinoline
CID 71208
Quinolin-5-ol
CID 135441757
Isoquinolin-5-ol
CID 30386
Papaveroline
CID 5459346
5-(N-methyl-N-propargylaminomethyl)-8-hydroxyquinoline
CID 6918822
6-Hydroxyquinoline
CID 11374
6,7-Dimethoxy-1-methylisoquinoline
CID 20725
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)isoquinolin-6-ol?
The IUPAC name of 1-(3-hydroxyphenyl)isoquinolin-6-ol (CID 156892510) is 1-(3-hydroxyphenyl)isoquinolin-6-ol.
What is the SMILES notation for 1-(3-hydroxyphenyl)isoquinolin-6-ol?
The canonical SMILES for 1-(3-hydroxyphenyl)isoquinolin-6-ol is Oc1cccc(-c2nccc3cc(O)ccc23)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)isoquinolin-6-ol?
The InChIKey is DCIHWPGCNFTMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-12-3-1-2-11(9-12)15-14-5-4-13(18)8-10(14)6-7-16-15/h1-9,17-18H.
What are the key properties of 1-(3-hydroxyphenyl)isoquinolin-6-ol?
1-(3-hydroxyphenyl)isoquinolin-6-ol has a molecular weight of 237.26 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)isoquinolin-6-ol is sourced from PubChem (CID 156892510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).