phenanthren-9-yl(pyridin-2-yl)methanol

C20H15NO — CID 178201671

IUPACphenanthren-9-yl(pyridin-2-yl)methanol
SMILESOC(c1ccccn1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C20H15NO/c22-20(19-11-5-6-12-21-19)18-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)18/h1-13,20,22H
InChIKeyQIRJFZTXQXLRKV-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.47
Rot. Bonds2

About phenanthren-9-yl(pyridin-2-yl)methanol

phenanthren-9-yl(pyridin-2-yl)methanol (PubChem CID 178201671) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is phenanthren-9-yl(pyridin-2-yl)methanol.

Molecular Properties

Compound Namephenanthren-9-yl(pyridin-2-yl)methanol
PubChem CID178201671
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Namephenanthren-9-yl(pyridin-2-yl)methanol
SMILESOC(c1ccccn1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C20H15NO/c22-20(19-11-5-6-12-21-19)18-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)18/h1-13,20,22H
InChIKeyQIRJFZTXQXLRKV-UHFFFAOYSA-N
XLogP4.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenanthren-9-yl(pyridin-2-yl)methanol?
The IUPAC name of phenanthren-9-yl(pyridin-2-yl)methanol (CID 178201671) is phenanthren-9-yl(pyridin-2-yl)methanol.
What is the SMILES notation for phenanthren-9-yl(pyridin-2-yl)methanol?
The canonical SMILES for phenanthren-9-yl(pyridin-2-yl)methanol is OC(c1ccccn1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of phenanthren-9-yl(pyridin-2-yl)methanol?
The InChIKey is QIRJFZTXQXLRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c22-20(19-11-5-6-12-21-19)18-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)18/h1-13,20,22H.
What are the key properties of phenanthren-9-yl(pyridin-2-yl)methanol?
phenanthren-9-yl(pyridin-2-yl)methanol has a molecular weight of 285.35 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthren-9-yl(pyridin-2-yl)methanol is sourced from PubChem (CID 178201671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).