1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol

C15H16BrNO3 — CID 63986899

IUPAC1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCOc1cccc(COc2ccc(Br)cc2C(C)O)n1
InChIInChI=1S/C15H16BrNO3/c1-10(18)13-8-11(16)6-7-14(13)20-9-12-4-3-5-15(17-12)19-2/h3-8,10,18H,9H2,1-2H3
InChIKeyKWTDDBKGHQISIO-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.48
Rot. Bonds5

About 1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol

1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol (PubChem CID 63986899) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol
PubChem CID63986899
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCOc1cccc(COc2ccc(Br)cc2C(C)O)n1
InChIInChI=1S/C15H16BrNO3/c1-10(18)13-8-11(16)6-7-14(13)20-9-12-4-3-5-15(17-12)19-2/h3-8,10,18H,9H2,1-2H3
InChIKeyKWTDDBKGHQISIO-UHFFFAOYSA-N
XLogP3.48
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992927
2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine
CID 63986285
5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 63984897
1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82887023
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79268203
(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 63365872
(1R)-1-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63992926
(1S)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932276
1-[5-chloro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992738
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 82866339

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol (CID 63986899) is 1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol is COc1cccc(COc2ccc(Br)cc2C(C)O)n1.
What is the InChIKey of 1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol?
The InChIKey is KWTDDBKGHQISIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-10(18)13-8-11(16)6-7-14(13)20-9-12-4-3-5-15(17-12)19-2/h3-8,10,18H,9H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol?
1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol has a molecular weight of 338.20 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 63986899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).