(4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

C22H20F3NO2 — CID 56665873

IUPAC(4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)Oc1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H20F3NO2/c1-15(2)28-20-11-9-17(10-12-20)21(27,19-4-3-13-26-14-19)16-5-7-18(8-6-16)22(23,24)25/h3-15,27H,1-2H3
InChIKeyDSHZPESISYHKDO-UHFFFAOYSA-N
MW387.40 g/mol
LogP5.17
Rot. Bonds5

About (4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

(4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 56665873) has the molecular formula C22H20F3NO2 and a molecular weight of 387.40 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID56665873
Molecular FormulaC22H20F3NO2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name(4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)Oc1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H20F3NO2/c1-15(2)28-20-11-9-17(10-12-20)21(27,19-4-3-13-26-14-19)16-5-7-18(8-6-16)22(23,24)25/h3-15,27H,1-2H3
InChIKeyDSHZPESISYHKDO-UHFFFAOYSA-N
XLogP5.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (CID 56665873) is (4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is CC(C)Oc1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is DSHZPESISYHKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO2/c1-15(2)28-20-11-9-17(10-12-20)21(27,19-4-3-13-26-14-19)16-5-7-18(8-6-16)22(23,24)25/h3-15,27H,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
(4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 387.40 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 56665873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).