2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol

C15H15Cl2NO — CID 107502712

IUPAC2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Cl)c(Cl)c2)cc(C)n1
InChIInChI=1S/C15H15Cl2NO/c1-9-5-12(6-10(2)18-9)15(19)8-11-3-4-13(16)14(17)7-11/h3-7,15,19H,8H2,1-2H3
InChIKeyAXRGEFWGAWCHQQ-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.28
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol

2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol (PubChem CID 107502712) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
PubChem CID107502712
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Cl)c(Cl)c2)cc(C)n1
InChIInChI=1S/C15H15Cl2NO/c1-9-5-12(6-10(2)18-9)15(19)8-11-3-4-13(16)14(17)7-11/h3-7,15,19H,8H2,1-2H3
InChIKeyAXRGEFWGAWCHQQ-UHFFFAOYSA-N
XLogP4.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453
2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
CID 115482625
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
1-(2,6-dimethyl-4-pyridinyl)propan-1-ol
CID 107502848
2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105087991
2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107504561
2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319833
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol (CID 107502712) is 2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol is Cc1cc(C(O)Cc2ccc(Cl)c(Cl)c2)cc(C)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The InChIKey is AXRGEFWGAWCHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9-5-12(6-10(2)18-9)15(19)8-11-3-4-13(16)14(17)7-11/h3-7,15,19H,8H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol has a molecular weight of 296.20 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol is sourced from PubChem (CID 107502712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).