4-hydroxy-3-phenyl-2H-isoquinolin-1-one

C15H11NO2 — CID 4271052

IUPAC4-hydroxy-3-phenyl-2H-isoquinolin-1-one
SMILESO=c1[nH]c(-c2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)15(18)16-13(14)10-6-2-1-3-7-10/h1-9,17H,(H,16,18)
InChIKeyBDXPHBBJPXHDAF-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.90
Rot. Bonds1

About 4-hydroxy-3-phenyl-2H-isoquinolin-1-one

4-hydroxy-3-phenyl-2H-isoquinolin-1-one (PubChem CID 4271052) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-2H-isoquinolin-1-one
PubChem CID4271052
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name4-hydroxy-3-phenyl-2H-isoquinolin-1-one
SMILESO=c1[nH]c(-c2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)15(18)16-13(14)10-6-2-1-3-7-10/h1-9,17H,(H,16,18)
InChIKeyBDXPHBBJPXHDAF-UHFFFAOYSA-N
XLogP2.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-2H-isoquinolin-1-one?
The IUPAC name of 4-hydroxy-3-phenyl-2H-isoquinolin-1-one (CID 4271052) is 4-hydroxy-3-phenyl-2H-isoquinolin-1-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-2H-isoquinolin-1-one?
The canonical SMILES for 4-hydroxy-3-phenyl-2H-isoquinolin-1-one is O=c1[nH]c(-c2ccccc2)c(O)c2ccccc12.
What is the InChIKey of 4-hydroxy-3-phenyl-2H-isoquinolin-1-one?
The InChIKey is BDXPHBBJPXHDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)15(18)16-13(14)10-6-2-1-3-7-10/h1-9,17H,(H,16,18).
What are the key properties of 4-hydroxy-3-phenyl-2H-isoquinolin-1-one?
4-hydroxy-3-phenyl-2H-isoquinolin-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-2H-isoquinolin-1-one is sourced from PubChem (CID 4271052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).