2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol

C20H19ClN2O2 — CID 90112840

IUPAC2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol
SMILESCCc1cc(Oc2ccc(CCO)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN2O2/c1-2-17-13-19(25-18-8-6-14(7-9-18)10-11-24)23-20(22-17)15-4-3-5-16(21)12-15/h3-9,12-13,24H,2,10-11H2,1H3
InChIKeyHCLCGWQIAMYHKR-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.69
Rot. Bonds6

About 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol

2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol (PubChem CID 90112840) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol
PubChem CID90112840
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol
SMILESCCc1cc(Oc2ccc(CCO)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN2O2/c1-2-17-13-19(25-18-8-6-14(7-9-18)10-11-24)23-20(22-17)15-4-3-5-16(21)12-15/h3-9,12-13,24H,2,10-11H2,1H3
InChIKeyHCLCGWQIAMYHKR-UHFFFAOYSA-N
XLogP4.69
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol?
The IUPAC name of 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol (CID 90112840) is 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol?
The canonical SMILES for 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol is CCc1cc(Oc2ccc(CCO)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol?
The InChIKey is HCLCGWQIAMYHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-2-17-13-19(25-18-8-6-14(7-9-18)10-11-24)23-20(22-17)15-4-3-5-16(21)12-15/h3-9,12-13,24H,2,10-11H2,1H3.
What are the key properties of 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol?
2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol has a molecular weight of 354.84 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]ethanol is sourced from PubChem (CID 90112840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).