4-quinolin-3-ylphenol

C15H11NO — CID 11746183

IUPAC4-quinolin-3-ylphenol
SMILESOc1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11NO/c17-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)16-10-13/h1-10,17H
InChIKeyMXMDOWMDGWXEHJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.61
Rot. Bonds1

About 4-quinolin-3-ylphenol

4-quinolin-3-ylphenol (PubChem CID 11746183) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-quinolin-3-ylphenol.

Molecular Properties

Compound Name4-quinolin-3-ylphenol
PubChem CID11746183
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name4-quinolin-3-ylphenol
SMILESOc1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11NO/c17-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)16-10-13/h1-10,17H
InChIKeyMXMDOWMDGWXEHJ-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 4-quinolin-3-ylphenol?
The IUPAC name of 4-quinolin-3-ylphenol (CID 11746183) is 4-quinolin-3-ylphenol.
What is the SMILES notation for 4-quinolin-3-ylphenol?
The canonical SMILES for 4-quinolin-3-ylphenol is Oc1ccc(-c2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-quinolin-3-ylphenol?
The InChIKey is MXMDOWMDGWXEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)16-10-13/h1-10,17H.
What are the key properties of 4-quinolin-3-ylphenol?
4-quinolin-3-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 4-quinolin-3-ylphenol is sourced from PubChem (CID 11746183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).