1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol

C22H22ClNO2 — CID 3022025

IUPAC1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
SMILESCCC(O)(c1ccc(Cl)cc1)c1ccc(OCc2cccc(C)n2)cc1
InChIInChI=1S/C22H22ClNO2/c1-3-22(25,17-7-11-19(23)12-8-17)18-9-13-21(14-10-18)26-15-20-6-4-5-16(2)24-20/h4-14,25H,3,15H2,1-2H3
InChIKeyJCKZUSTZSIACAR-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.27
Rot. Bonds6

About 1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol

1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol (PubChem CID 3022025) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
PubChem CID3022025
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
SMILESCCC(O)(c1ccc(Cl)cc1)c1ccc(OCc2cccc(C)n2)cc1
InChIInChI=1S/C22H22ClNO2/c1-3-22(25,17-7-11-19(23)12-8-17)18-9-13-21(14-10-18)26-15-20-6-4-5-16(2)24-20/h4-14,25H,3,15H2,1-2H3
InChIKeyJCKZUSTZSIACAR-UHFFFAOYSA-N
XLogP5.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol (CID 3022025) is 1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol is CCC(O)(c1ccc(Cl)cc1)c1ccc(OCc2cccc(C)n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol?
The InChIKey is JCKZUSTZSIACAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2/c1-3-22(25,17-7-11-19(23)12-8-17)18-9-13-21(14-10-18)26-15-20-6-4-5-16(2)24-20/h4-14,25H,3,15H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol?
1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol has a molecular weight of 367.88 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 3022025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).