2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol

C15H16BrNO2 — CID 81320149

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1ccc(C)cn1
InChIInChI=1S/C15H16BrNO2/c1-10-3-5-13(17-9-10)14(18)8-11-7-12(16)4-6-15(11)19-2/h3-7,9,14,18H,8H2,1-2H3
InChIKeyFSJMPSNHQOIGGT-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.44
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol

2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol (PubChem CID 81320149) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
PubChem CID81320149
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1ccc(C)cn1
InChIInChI=1S/C15H16BrNO2/c1-10-3-5-13(17-9-10)14(18)8-11-7-12(16)4-6-15(11)19-2/h3-7,9,14,18H,8H2,1-2H3
InChIKeyFSJMPSNHQOIGGT-UHFFFAOYSA-N
XLogP3.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 104793222
2-(5-bromo-2-methoxyphenyl)-1-(2-methyltriazol-4-yl)ethanol
CID 112735939
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
[2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261563
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115779294
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol (CID 81320149) is 2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol is COc1ccc(Br)cc1CC(O)c1ccc(C)cn1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol?
The InChIKey is FSJMPSNHQOIGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-3-5-13(17-9-10)14(18)8-11-7-12(16)4-6-15(11)19-2/h3-7,9,14,18H,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 81320149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).