2-isoquinolin-7-ylphenol

C15H11NO — CID 68897209

IUPAC2-isoquinolin-7-ylphenol
SMILESOc1ccccc1-c1ccc2ccncc2c1
InChIInChI=1S/C15H11NO/c17-15-4-2-1-3-14(15)12-6-5-11-7-8-16-10-13(11)9-12/h1-10,17H
InChIKeyMICVSUXPMLAUHM-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.61
Rot. Bonds1

About 2-isoquinolin-7-ylphenol

2-isoquinolin-7-ylphenol (PubChem CID 68897209) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-isoquinolin-7-ylphenol.

Molecular Properties

Compound Name2-isoquinolin-7-ylphenol
PubChem CID68897209
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-isoquinolin-7-ylphenol
SMILESOc1ccccc1-c1ccc2ccncc2c1
InChIInChI=1S/C15H11NO/c17-15-4-2-1-3-14(15)12-6-5-11-7-8-16-10-13(11)9-12/h1-10,17H
InChIKeyMICVSUXPMLAUHM-UHFFFAOYSA-N
XLogP3.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-7-ylphenol?
The IUPAC name of 2-isoquinolin-7-ylphenol (CID 68897209) is 2-isoquinolin-7-ylphenol.
What is the SMILES notation for 2-isoquinolin-7-ylphenol?
The canonical SMILES for 2-isoquinolin-7-ylphenol is Oc1ccccc1-c1ccc2ccncc2c1.
What is the InChIKey of 2-isoquinolin-7-ylphenol?
The InChIKey is MICVSUXPMLAUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-15-4-2-1-3-14(15)12-6-5-11-7-8-16-10-13(11)9-12/h1-10,17H.
What are the key properties of 2-isoquinolin-7-ylphenol?
2-isoquinolin-7-ylphenol has a molecular weight of 221.26 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-7-ylphenol is sourced from PubChem (CID 68897209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).