isoquinolin-1-yl(phenyl)methanol

C16H13NO — CID 2789853

IUPACisoquinolin-1-yl(phenyl)methanol
SMILESOC(c1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C16H13NO/c18-16(13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15/h1-11,16,18H
InChIKeyXTNQTRGVYBQXLK-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.32
Rot. Bonds2

About isoquinolin-1-yl(phenyl)methanol

isoquinolin-1-yl(phenyl)methanol (PubChem CID 2789853) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is isoquinolin-1-yl(phenyl)methanol.

Molecular Properties

Compound Nameisoquinolin-1-yl(phenyl)methanol
PubChem CID2789853
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Nameisoquinolin-1-yl(phenyl)methanol
SMILESOC(c1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C16H13NO/c18-16(13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15/h1-11,16,18H
InChIKeyXTNQTRGVYBQXLK-UHFFFAOYSA-N
XLogP3.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl(phenyl)methanol?
The IUPAC name of isoquinolin-1-yl(phenyl)methanol (CID 2789853) is isoquinolin-1-yl(phenyl)methanol.
What is the SMILES notation for isoquinolin-1-yl(phenyl)methanol?
The canonical SMILES for isoquinolin-1-yl(phenyl)methanol is OC(c1ccccc1)c1nccc2ccccc12.
What is the InChIKey of isoquinolin-1-yl(phenyl)methanol?
The InChIKey is XTNQTRGVYBQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-16(13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15/h1-11,16,18H.
What are the key properties of isoquinolin-1-yl(phenyl)methanol?
isoquinolin-1-yl(phenyl)methanol has a molecular weight of 235.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl(phenyl)methanol is sourced from PubChem (CID 2789853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).