2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol

C13H12Cl2N2O2 — CID 103373604

IUPAC2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C13H12Cl2N2O2/c1-19-13-5-4-11(16-17-13)12(18)7-8-2-3-9(14)10(15)6-8/h2-6,12,18H,7H2,1H3
InChIKeyLHMOUBWRXKRGQD-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.07
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol

2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol (PubChem CID 103373604) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
PubChem CID103373604
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C13H12Cl2N2O2/c1-19-13-5-4-11(16-17-13)12(18)7-8-2-3-9(14)10(15)6-8/h2-6,12,18H,7H2,1H3
InChIKeyLHMOUBWRXKRGQD-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

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373442
2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373598
2-(2-chloro-5-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373694
2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347951
2-(2,6-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373585
2-(2,3-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 107308299
2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373520
2-(2-chloro-6-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373444
2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63045810
2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319833
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612
2-(2-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373525

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol (CID 103373604) is 2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol is COc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The InChIKey is LHMOUBWRXKRGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-19-13-5-4-11(16-17-13)12(18)7-8-2-3-9(14)10(15)6-8/h2-6,12,18H,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-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-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol is sourced from PubChem (CID 103373604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).