1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol

C14H14BrNO2 — CID 102948400

IUPAC1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCc1ccncc1
InChIInChI=1S/C14H14BrNO2/c1-10(17)13-3-2-12(15)8-14(13)18-9-11-4-6-16-7-5-11/h2-8,10,17H,9H2,1H3
InChIKeyHJTJHZSJCGHERK-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.48
Rot. Bonds4

About 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol

1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol (PubChem CID 102948400) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
PubChem CID102948400
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCc1ccncc1
InChIInChI=1S/C14H14BrNO2/c1-10(17)13-3-2-12(15)8-14(13)18-9-11-4-6-16-7-5-11/h2-8,10,17H,9H2,1H3
InChIKeyHJTJHZSJCGHERK-UHFFFAOYSA-N
XLogP3.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
4-[[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 102948608
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102949340
(1R)-1-[4-bromo-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102948849
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 102948585
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
3-[[5-bromo-2-(1-hydroxyethyl)phenoxy]methyl]benzonitrile
CID 102948224
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol (CID 102948400) is 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol is CC(O)c1ccc(Br)cc1OCc1ccncc1.
What is the InChIKey of 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol?
The InChIKey is HJTJHZSJCGHERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10(17)13-3-2-12(15)8-14(13)18-9-11-4-6-16-7-5-11/h2-8,10,17H,9H2,1H3.
What are the key properties of 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol?
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol has a molecular weight of 308.18 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 102948400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).