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

C15H16BrNO2 — CID 62378651

IUPAC1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCCc1ccccn1
InChIInChI=1S/C15H16BrNO2/c1-11(18)14-10-12(16)5-6-15(14)19-9-7-13-4-2-3-8-17-13/h2-6,8,10-11,18H,7,9H2,1H3
InChIKeyBCSMDIPMLDCRJP-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.52
Rot. Bonds5

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

1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol (PubChem CID 62378651) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
PubChem CID62378651
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCCc1ccccn1
InChIInChI=1S/C15H16BrNO2/c1-11(18)14-10-12(16)5-6-15(14)19-9-7-13-4-2-3-8-17-13/h2-6,8,10-11,18H,7,9H2,1H3
InChIKeyBCSMDIPMLDCRJP-UHFFFAOYSA-N
XLogP3.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanol
CID 104893887
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
CID 60891835
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113258
(1R)-1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81114812
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
(1S)-1-[5-bromo-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 79007137
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63533540
(1R)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63532943
(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 78944591

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol (CID 62378651) is 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol is CC(O)c1cc(Br)ccc1OCCc1ccccn1.
What is the InChIKey of 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol?
The InChIKey is BCSMDIPMLDCRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-11(18)14-10-12(16)5-6-15(14)19-9-7-13-4-2-3-8-17-13/h2-6,8,10-11,18H,7,9H2,1H3.
What are the key properties of 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol?
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol is sourced from PubChem (CID 62378651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).