3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol

C14H14ClNO2 — CID 117241285

IUPAC3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
SMILESOCC(COc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C14H14ClNO2/c15-13-3-5-14(6-4-13)18-10-12(9-17)11-2-1-7-16-8-11/h1-8,12,17H,9-10H2
InChIKeyHRDPYVJQPYEUQN-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.89
Rot. Bonds5

About 3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol

3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol (PubChem CID 117241285) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
PubChem CID117241285
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
SMILESOCC(COc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C14H14ClNO2/c15-13-3-5-14(6-4-13)18-10-12(9-17)11-2-1-7-16-8-11/h1-8,12,17H,9-10H2
InChIKeyHRDPYVJQPYEUQN-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

2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117245002
3-methoxy-2-pyridin-3-ylpropan-1-ol
CID 117241293
2-(3-hydroxy-2-pyridin-3-ylpropoxy)phenol
CID 117241268
4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
CID 117244973
2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117243147
2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117241260
3-(3-amino-2-pyridin-3-ylpropoxy)phenol
CID 117241277
2,2-dipyridin-3-ylethanol
CID 57450821
4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine
CID 112516545
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052
2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol
CID 117246541
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol?
The IUPAC name of 3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol (CID 117241285) is 3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol is OCC(COc1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of 3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol?
The InChIKey is HRDPYVJQPYEUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-13-3-5-14(6-4-13)18-10-12(9-17)11-2-1-7-16-8-11/h1-8,12,17H,9-10H2.
What are the key properties of 3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol?
3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-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 3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 117241285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).