2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol

C13H12Cl2N2O — CID 107308241

IUPAC2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol
SMILESCc1cnc(C(O)Cc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C13H12Cl2N2O/c1-8-6-16-13(17-7-8)11(18)5-9-3-2-4-10(14)12(9)15/h2-4,6-7,11,18H,5H2,1H3
InChIKeyIWBRRQAWFUCEGJ-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.37
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol

2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol (PubChem CID 107308241) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol
PubChem CID107308241
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol
SMILESCc1cnc(C(O)Cc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C13H12Cl2N2O/c1-8-6-16-13(17-7-8)11(18)5-9-3-2-4-10(14)12(9)15/h2-4,6-7,11,18H,5H2,1H3
InChIKeyIWBRRQAWFUCEGJ-UHFFFAOYSA-N
XLogP3.37
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanol
CID 107308138
1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312550
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307604
1-(2-bromo-5-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312495
2-(2,3-dichlorophenyl)-1-(2-ethylphenyl)ethanol
CID 107307475
[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261419
2-(2,3-dichlorophenyl)-1-(2,3-difluorophenyl)ethanol
CID 107307471
2-(2,3-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 107308318
1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307685
2-(2,3-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 107308299
(1R)-1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
CID 134543108

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol (CID 107308241) is 2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol is Cc1cnc(C(O)Cc2cccc(Cl)c2Cl)nc1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol?
The InChIKey is IWBRRQAWFUCEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8-6-16-13(17-7-8)11(18)5-9-3-2-4-10(14)12(9)15/h2-4,6-7,11,18H,5H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol?
2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol has a molecular weight of 283.16 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol is sourced from PubChem (CID 107308241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).