(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol

C23H16F3NO2 — CID 25129467

IUPAC(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2cc1-c1cccnc1
InChIInChI=1S/C23H16F3NO2/c24-23(25,26)29-19-9-7-15(8-10-19)22(28)21-13-17-5-2-1-4-16(17)12-20(21)18-6-3-11-27-14-18/h1-14,22,28H
InChIKeyDRWUQPBYFZMLOK-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.88
Rot. Bonds4

About (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol

(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 25129467) has the molecular formula C23H16F3NO2 and a molecular weight of 395.38 g/mol. Its IUPAC name is (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID25129467
Molecular FormulaC23H16F3NO2
Molecular Weight395.38 g/mol
Exact Mass395.11
IUPAC Name(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2cc1-c1cccnc1
InChIInChI=1S/C23H16F3NO2/c24-23(25,26)29-19-9-7-15(8-10-19)22(28)21-13-17-5-2-1-4-16(17)12-20(21)18-6-3-11-27-14-18/h1-14,22,28H
InChIKeyDRWUQPBYFZMLOK-UHFFFAOYSA-N
XLogP5.88
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol (CID 25129467) is (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol is OC(c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2cc1-c1cccnc1.
What is the InChIKey of (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is DRWUQPBYFZMLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO2/c24-23(25,26)29-19-9-7-15(8-10-19)22(28)21-13-17-5-2-1-4-16(17)12-20(21)18-6-3-11-27-14-18/h1-14,22,28H.
What are the key properties of (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 395.38 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 25129467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).