(4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

C21H20ClNO2 — CID 56669042

IUPAC(4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ccccc1C(O)(c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C21H20ClNO2/c1-15(2)25-20-8-4-3-7-19(20)21(24,17-6-5-13-23-14-17)16-9-11-18(22)12-10-16/h3-15,24H,1-2H3
InChIKeyQHNMLHIWINBZBY-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.81
Rot. Bonds5

About (4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

(4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (PubChem CID 56669042) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
PubChem CID56669042
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name(4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ccccc1C(O)(c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C21H20ClNO2/c1-15(2)25-20-8-4-3-7-19(20)21(24,17-6-5-13-23-14-17)16-9-11-18(22)12-10-16/h3-15,24H,1-2H3
InChIKeyQHNMLHIWINBZBY-UHFFFAOYSA-N
XLogP4.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (CID 56669042) is (4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is CC(C)Oc1ccccc1C(O)(c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of (4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The InChIKey is QHNMLHIWINBZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-15(2)25-20-8-4-3-7-19(20)21(24,17-6-5-13-23-14-17)16-9-11-18(22)12-10-16/h3-15,24H,1-2H3.
What are the key properties of (4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
(4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol has a molecular weight of 353.85 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56669042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).