(2-isoquinolin-1-ylphenyl)methanol

C16H13NO — CID 50972872

IUPAC(2-isoquinolin-1-ylphenyl)methanol
SMILESOCc1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C16H13NO/c18-11-13-6-2-4-8-15(13)16-14-7-3-1-5-12(14)9-10-17-16/h1-10,18H,11H2
InChIKeyLWEMLBMNCAAQFN-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.39
Rot. Bonds2

About (2-isoquinolin-1-ylphenyl)methanol

(2-isoquinolin-1-ylphenyl)methanol (PubChem CID 50972872) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (2-isoquinolin-1-ylphenyl)methanol.

Molecular Properties

Compound Name(2-isoquinolin-1-ylphenyl)methanol
PubChem CID50972872
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(2-isoquinolin-1-ylphenyl)methanol
SMILESOCc1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C16H13NO/c18-11-13-6-2-4-8-15(13)16-14-7-3-1-5-12(14)9-10-17-16/h1-10,18H,11H2
InChIKeyLWEMLBMNCAAQFN-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-isoquinolin-1-ylphenyl)methanol?
The IUPAC name of (2-isoquinolin-1-ylphenyl)methanol (CID 50972872) is (2-isoquinolin-1-ylphenyl)methanol.
What is the SMILES notation for (2-isoquinolin-1-ylphenyl)methanol?
The canonical SMILES for (2-isoquinolin-1-ylphenyl)methanol is OCc1ccccc1-c1nccc2ccccc12.
What is the InChIKey of (2-isoquinolin-1-ylphenyl)methanol?
The InChIKey is LWEMLBMNCAAQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-11-13-6-2-4-8-15(13)16-14-7-3-1-5-12(14)9-10-17-16/h1-10,18H,11H2.
What are the key properties of (2-isoquinolin-1-ylphenyl)methanol?
(2-isoquinolin-1-ylphenyl)methanol has a molecular weight of 235.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-isoquinolin-1-ylphenyl)methanol is sourced from PubChem (CID 50972872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).