2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol

C13H12Cl2N2O2 — CID 102950327

IUPAC2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(C(O)Cc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C13H12Cl2N2O2/c1-19-13-6-11(16-7-17-13)12(18)4-8-2-3-9(14)5-10(8)15/h2-3,5-7,12,18H,4H2,1H3
InChIKeyJTSXPEAMEDGFGU-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.07
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol

2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol (PubChem CID 102950327) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
PubChem CID102950327
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(C(O)Cc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C13H12Cl2N2O2/c1-19-13-6-11(16-7-17-13)12(18)4-8-2-3-9(14)5-10(8)15/h2-3,5-7,12,18H,4H2,1H3
InChIKeyJTSXPEAMEDGFGU-UHFFFAOYSA-N
XLogP3.07
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950450
2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 106868880
2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950239
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
4-(2,4-dichlorophenyl)-6-methoxypyrimidine
CID 50971015
2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373520
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 62796974
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(2,4-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105086791
2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950413
1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol
CID 102950319
[2-(2,3-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 107312811

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol (CID 102950327) is 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol is COc1cc(C(O)Cc2ccc(Cl)cc2Cl)ncn1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The InChIKey is JTSXPEAMEDGFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-19-13-6-11(16-7-17-13)12(18)4-8-2-3-9(14)5-10(8)15/h2-3,5-7,12,18H,4H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol has a molecular weight of 299.16 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol is sourced from PubChem (CID 102950327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).