2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol

C14H14ClNO2 — CID 117245002

IUPAC2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
SMILESOCC(COc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2/c15-13-5-3-11(4-6-13)12(9-17)10-18-14-2-1-7-16-8-14/h1-8,12,17H,9-10H2
InChIKeyHDPHEERNLHIKOK-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.89
Rot. Bonds5

About 2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol

2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol (PubChem CID 117245002) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
PubChem CID117245002
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
SMILESOCC(COc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2/c15-13-5-3-11(4-6-13)12(9-17)10-18-14-2-1-7-16-8-14/h1-8,12,17H,9-10H2
InChIKeyHDPHEERNLHIKOK-UHFFFAOYSA-N
XLogP2.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
CID 117241285
2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117243147
4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
CID 117244973
2-(4-chlorophenyl)-3-methoxypropan-1-ol
CID 103985044
(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol
CID 125466536
2-(3-hydroxy-2-pyridin-3-ylpropoxy)phenol
CID 117241268
3-methoxy-2-pyridin-3-ylpropan-1-ol
CID 117241293
1-(5-chlorofuran-2-yl)-2-pyridin-3-yloxyethanol
CID 117240237
2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117241260
pyridin-3-yl 2-(4-chlorophenyl)-3-methylbutanoate
CID 174421603
2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
CID 117246006
3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol
CID 117236929

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol (CID 117245002) is 2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol is OCC(COc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol?
The InChIKey is HDPHEERNLHIKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-13-5-3-11(4-6-13)12(9-17)10-18-14-2-1-7-16-8-14/h1-8,12,17H,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol?
2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol has a molecular weight of 263.72 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol is sourced from PubChem (CID 117245002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).