1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol

C14H14BrNO2 — CID 62380101

IUPAC1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCc1cccnc1
InChIInChI=1S/C14H14BrNO2/c1-10(17)13-7-12(15)4-5-14(13)18-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3
InChIKeySGKIDXIVZIELKC-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.48
Rot. Bonds4

About 1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol

1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol (PubChem CID 62380101) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
PubChem CID62380101
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCc1cccnc1
InChIInChI=1S/C14H14BrNO2/c1-10(17)13-7-12(15)4-5-14(13)18-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3
InChIKeySGKIDXIVZIELKC-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

(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 63365872
(1S)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932276
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol
CID 62381389
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598
(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 104798701
(1R)-1-[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 63365906
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol (CID 62380101) is 1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol is CC(O)c1cc(Br)ccc1OCc1cccnc1.
What is the InChIKey of 1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol?
The InChIKey is SGKIDXIVZIELKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10(17)13-7-12(15)4-5-14(13)18-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3.
What are the key properties of 1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol?
1-[5-bromo-2-(pyridin-3-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-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 62380101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).