5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one

C15H11NO3 — CID 71375584

IUPAC5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]cc(-c2ccc(O)cc2)c2c(O)cccc12
InChIInChI=1S/C15H11NO3/c17-10-6-4-9(5-7-10)12-8-16-15(19)11-2-1-3-13(18)14(11)12/h1-8,17-18H,(H,16,19)
InChIKeyNLVYJAXUYHWJOU-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.61
Rot. Bonds1

About 5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one

5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one (PubChem CID 71375584) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one
PubChem CID71375584
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]cc(-c2ccc(O)cc2)c2c(O)cccc12
InChIInChI=1S/C15H11NO3/c17-10-6-4-9(5-7-10)12-8-16-15(19)11-2-1-3-13(18)14(11)12/h1-8,17-18H,(H,16,19)
InChIKeyNLVYJAXUYHWJOU-UHFFFAOYSA-N
XLogP2.61
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one?
The IUPAC name of 5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one (CID 71375584) is 5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one?
The canonical SMILES for 5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one is O=c1[nH]cc(-c2ccc(O)cc2)c2c(O)cccc12.
What is the InChIKey of 5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one?
The InChIKey is NLVYJAXUYHWJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-10-6-4-9(5-7-10)12-8-16-15(19)11-2-1-3-13(18)14(11)12/h1-8,17-18H,(H,16,19).
What are the key properties of 5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one?
5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one has a molecular weight of 253.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(4-hydroxyphenyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 71375584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).