1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol

C18H15ClN2O3 — CID 109416427

IUPAC1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol
SMILESOC(COc1cccc(Oc2ncccn2)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3/c19-14-5-1-4-13(10-14)17(22)12-23-15-6-2-7-16(11-15)24-18-20-8-3-9-21-18/h1-11,17,22H,12H2
InChIKeyXDZPUWIUEIAJSR-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.03
Rot. Bonds6

About 1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol

1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol (PubChem CID 109416427) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol
PubChem CID109416427
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol
SMILESOC(COc1cccc(Oc2ncccn2)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3/c19-14-5-1-4-13(10-14)17(22)12-23-15-6-2-7-16(11-15)24-18-20-8-3-9-21-18/h1-11,17,22H,12H2
InChIKeyXDZPUWIUEIAJSR-UHFFFAOYSA-N
XLogP4.03
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 105124244
5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
2-(3-chlorophenoxy)-1-thiophen-2-ylethanol
CID 115766337
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol (CID 109416427) is 1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol is OC(COc1cccc(Oc2ncccn2)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol?
The InChIKey is XDZPUWIUEIAJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-5-1-4-13(10-14)17(22)12-23-15-6-2-7-16(11-15)24-18-20-8-3-9-21-18/h1-11,17,22H,12H2.
What are the key properties of 1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol?
1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol has a molecular weight of 342.78 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol is sourced from PubChem (CID 109416427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).