naphthalen-1-yl-phenyl-pyridin-2-ylmethanol

C22H17NO — CID 12549466

IUPACnaphthalen-1-yl-phenyl-pyridin-2-ylmethanol
SMILESOC(c1ccccc1)(c1ccccn1)c1cccc2ccccc12
InChIInChI=1S/C22H17NO/c24-22(18-11-2-1-3-12-18,21-15-6-7-16-23-21)20-14-8-10-17-9-4-5-13-19(17)20/h1-16,24H
InChIKeyAUIBMFIUZKVFFM-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.52
Rot. Bonds3

About naphthalen-1-yl-phenyl-pyridin-2-ylmethanol

naphthalen-1-yl-phenyl-pyridin-2-ylmethanol (PubChem CID 12549466) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is naphthalen-1-yl-phenyl-pyridin-2-ylmethanol.

Molecular Properties

Compound Namenaphthalen-1-yl-phenyl-pyridin-2-ylmethanol
PubChem CID12549466
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Namenaphthalen-1-yl-phenyl-pyridin-2-ylmethanol
SMILESOC(c1ccccc1)(c1ccccn1)c1cccc2ccccc12
InChIInChI=1S/C22H17NO/c24-22(18-11-2-1-3-12-18,21-15-6-7-16-23-21)20-14-8-10-17-9-4-5-13-19(17)20/h1-16,24H
InChIKeyAUIBMFIUZKVFFM-UHFFFAOYSA-N
XLogP4.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-phenyl-pyridin-2-ylmethanol?
The IUPAC name of naphthalen-1-yl-phenyl-pyridin-2-ylmethanol (CID 12549466) is naphthalen-1-yl-phenyl-pyridin-2-ylmethanol.
What is the SMILES notation for naphthalen-1-yl-phenyl-pyridin-2-ylmethanol?
The canonical SMILES for naphthalen-1-yl-phenyl-pyridin-2-ylmethanol is OC(c1ccccc1)(c1ccccn1)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-phenyl-pyridin-2-ylmethanol?
The InChIKey is AUIBMFIUZKVFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c24-22(18-11-2-1-3-12-18,21-15-6-7-16-23-21)20-14-8-10-17-9-4-5-13-19(17)20/h1-16,24H.
What are the key properties of naphthalen-1-yl-phenyl-pyridin-2-ylmethanol?
naphthalen-1-yl-phenyl-pyridin-2-ylmethanol has a molecular weight of 311.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-phenyl-pyridin-2-ylmethanol is sourced from PubChem (CID 12549466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).