1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol

C16H18BrNO3 — CID 82887023

IUPAC1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCOc1cc(C)nc(COc2ccc(Br)cc2C(C)O)c1
InChIInChI=1S/C16H18BrNO3/c1-10-6-14(20-3)8-13(18-10)9-21-16-5-4-12(17)7-15(16)11(2)19/h4-8,11,19H,9H2,1-3H3
InChIKeySPKMZHPMFBGOKL-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.79
Rot. Bonds5

About 1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol

1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol (PubChem CID 82887023) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
PubChem CID82887023
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCOc1cc(C)nc(COc2ccc(Br)cc2C(C)O)c1
InChIInChI=1S/C16H18BrNO3/c1-10-6-14(20-3)8-13(18-10)9-21-16-5-4-12(17)7-15(16)11(2)19/h4-8,11,19H,9H2,1-3H3
InChIKeySPKMZHPMFBGOKL-UHFFFAOYSA-N
XLogP3.79
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol with MolForge

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Related Compounds

(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 82887705
1-[5-chloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82887022
(1R)-1-[5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82888691
(1S)-1-[5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82888692
1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-4-methylphenyl]ethanol
CID 82888130
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 63986899
(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 82887878
(1S)-1-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82892794
(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 63365872
(1S)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932276
(1S)-1-[5-bromo-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 79007137

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol (CID 82887023) is 1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol is COc1cc(C)nc(COc2ccc(Br)cc2C(C)O)c1.
What is the InChIKey of 1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
The InChIKey is SPKMZHPMFBGOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-10-6-14(20-3)8-13(18-10)9-21-16-5-4-12(17)7-15(16)11(2)19/h4-8,11,19H,9H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol?
1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol has a molecular weight of 352.23 g/mol, XLogP of 3.79, 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-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 82887023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).