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

C14H13Cl2NO2 — CID 103347951

IUPAC2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
SMILESCOc1cccc(C(O)Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H13Cl2NO2/c1-19-14-4-2-3-12(17-14)13(18)8-9-5-6-10(15)11(16)7-9/h2-7,13,18H,8H2,1H3
InChIKeyBRGVQKNOKPGSCP-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.67
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol (PubChem CID 103347951) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
PubChem CID103347951
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
SMILESCOc1cccc(C(O)Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H13Cl2NO2/c1-19-14-4-2-3-12(17-14)13(18)8-9-5-6-10(15)11(16)7-9/h2-7,13,18H,8H2,1H3
InChIKeyBRGVQKNOKPGSCP-UHFFFAOYSA-N
XLogP3.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604
2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63045810
2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348150
2-(2-amino-4-pyridinyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347981
1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
2-(3-chloro-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373442
2-(2-fluorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347996
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348112
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348004
4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol
CID 103348199
2-amino-1-(6-methoxy-2-pyridinyl)-3-phenylpropan-1-ol
CID 103347781

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol (CID 103347951) is 2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol is COc1cccc(C(O)Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol?
The InChIKey is BRGVQKNOKPGSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-19-14-4-2-3-12(17-14)13(18)8-9-5-6-10(15)11(16)7-9/h2-7,13,18H,8H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol?
2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol has a molecular weight of 298.17 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol is sourced from PubChem (CID 103347951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).