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

C14H13Cl2NO2 — CID 105066235

IUPAC2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol
SMILESCOc1cnccc1C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c1-19-14-8-17-5-4-10(14)13(18)7-9-2-3-11(15)12(16)6-9/h2-6,8,13,18H,7H2,1H3
InChIKeyDIJRZRBMKKTBIP-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.67
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol (PubChem CID 105066235) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol
PubChem CID105066235
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol
SMILESCOc1cnccc1C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c1-19-14-8-17-5-4-10(14)13(18)7-9-2-3-11(15)12(16)6-9/h2-6,8,13,18H,7H2,1H3
InChIKeyDIJRZRBMKKTBIP-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

1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
2-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066190
2-(3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066229
2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63045810
2-(4-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 107884336
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655718
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 114012571
2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065635
1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylethanol
CID 55116184

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol (CID 105066235) is 2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol is COc1cnccc1C(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol?
The InChIKey is DIJRZRBMKKTBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-19-14-8-17-5-4-10(14)13(18)7-9-2-3-11(15)12(16)6-9/h2-6,8,13,18H,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol?
2-(3,4-dichlorophenyl)-1-(3-methoxy-4-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-(3-methoxy-4-pyridinyl)ethanol is sourced from PubChem (CID 105066235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).