2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol

C15H15Cl2NO2 — CID 54028820

IUPAC2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol
SMILESCOC(c1ccc(Cl)cc1Cl)C(O)c1cccnc1C
InChIInChI=1S/C15H15Cl2NO2/c1-9-11(4-3-7-18-9)14(19)15(20-2)12-6-5-10(16)8-13(12)17/h3-8,14-15,19H,1-2H3
InChIKeyLECQXWYZYBNZBD-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.12
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol

2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol (PubChem CID 54028820) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol
PubChem CID54028820
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol
SMILESCOC(c1ccc(Cl)cc1Cl)C(O)c1cccnc1C
InChIInChI=1S/C15H15Cl2NO2/c1-9-11(4-3-7-18-9)14(19)15(20-2)12-6-5-10(16)8-13(12)17/h3-8,14-15,19H,1-2H3
InChIKeyLECQXWYZYBNZBD-UHFFFAOYSA-N
XLogP4.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)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-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 54003137
2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 54314992
(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol
CID 166243334
(3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol
CID 105081367
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
2-(3-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105076776
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine
CID 163640824
2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine
CID 70531872
(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 105097054
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105137291
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613
methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate
CID 605155

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol (CID 54028820) is 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol is COC(c1ccc(Cl)cc1Cl)C(O)c1cccnc1C.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol?
The InChIKey is LECQXWYZYBNZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-9-11(4-3-7-18-9)14(19)15(20-2)12-6-5-10(16)8-13(12)17/h3-8,14-15,19H,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol?
2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol has a molecular weight of 312.20 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 54028820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).