2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol

C13H13ClN2O2 — CID 105083696

IUPAC2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)c1cncnc1
InChIInChI=1S/C13H13ClN2O2/c1-9(13(17)10-6-15-8-16-7-10)18-12-4-2-3-11(14)5-12/h2-9,13,17H,1H3
InChIKeyKMKMIROAGDETBI-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.63
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol

2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol (PubChem CID 105083696) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
PubChem CID105083696
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)c1cncnc1
InChIInChI=1S/C13H13ClN2O2/c1-9(13(17)10-6-15-8-16-7-10)18-12-4-2-3-11(14)5-12/h2-9,13,17H,1H3
InChIKeyKMKMIROAGDETBI-UHFFFAOYSA-N
XLogP2.63
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 105093982
2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
CID 105103501
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105132444
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444
1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 106465641
1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105119310
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
CID 102649827
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol?
The IUPAC name of 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol (CID 105083696) is 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol is CC(Oc1cccc(Cl)c1)C(O)c1cncnc1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol?
The InChIKey is KMKMIROAGDETBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9(13(17)10-6-15-8-16-7-10)18-12-4-2-3-11(14)5-12/h2-9,13,17H,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol?
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol has a molecular weight of 264.71 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol is sourced from PubChem (CID 105083696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).