1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol

C14H14BrNO2 — CID 107284882

IUPAC1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol
SMILESCc1ccc(Br)cc1Oc1ccc(C(C)O)nc1
InChIInChI=1S/C14H14BrNO2/c1-9-3-4-11(15)7-14(9)18-12-5-6-13(10(2)17)16-8-12/h3-8,10,17H,1-2H3
InChIKeyHDYOJJOPNBEOSX-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.00
Rot. Bonds3

About 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol

1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol (PubChem CID 107284882) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol
PubChem CID107284882
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol
SMILESCc1ccc(Br)cc1Oc1ccc(C(C)O)nc1
InChIInChI=1S/C14H14BrNO2/c1-9-3-4-11(15)7-14(9)18-12-5-6-13(10(2)17)16-8-12/h3-8,10,17H,1-2H3
InChIKeyHDYOJJOPNBEOSX-UHFFFAOYSA-N
XLogP4.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 107284909
(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
CID 107100177
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032
1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol
CID 83110707
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
1-[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanol
CID 107284929
(1R)-1-[5-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanol
CID 83125304
(1R)-1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83124719
1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83124274
(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
CID 103939260
(1S)-1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83123226
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol (CID 107284882) is 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol is Cc1ccc(Br)cc1Oc1ccc(C(C)O)nc1.
What is the InChIKey of 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol?
The InChIKey is HDYOJJOPNBEOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9-3-4-11(15)7-14(9)18-12-5-6-13(10(2)17)16-8-12/h3-8,10,17H,1-2H3.
What are the key properties of 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol?
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol has a molecular weight of 308.18 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 107284882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).