1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol

C15H16BrNO2 — CID 66461101

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCOc1ccc(C(O)Cc2ncccc2C)cc1Br
InChIInChI=1S/C15H16BrNO2/c1-10-4-3-7-17-13(10)9-14(18)11-5-6-15(19-2)12(16)8-11/h3-8,14,18H,9H2,1-2H3
InChIKeyKKTIMDXSXXXMMQ-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.44
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol

1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol (PubChem CID 66461101) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
PubChem CID66461101
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCOc1ccc(C(O)Cc2ncccc2C)cc1Br
InChIInChI=1S/C15H16BrNO2/c1-10-4-3-7-17-13(10)9-14(18)11-5-6-15(19-2)12(16)8-11/h3-8,14,18H,9H2,1-2H3
InChIKeyKKTIMDXSXXXMMQ-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

1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305921
1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461704
1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 115354635
2-[2-bromo-2-(3-methoxy-4-methylphenyl)ethyl]-3-methylpyridine
CID 66453543
1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020682
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine
CID 81284243
1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 65476638
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
CID 81196495
2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine
CID 66453117

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol (CID 66461101) is 1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol is COc1ccc(C(O)Cc2ncccc2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is KKTIMDXSXXXMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-4-3-7-17-13(10)9-14(18)11-5-6-15(19-2)12(16)8-11/h3-8,14,18H,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol?
1-(3-bromo-4-methoxyphenyl)-2-(3-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 1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 66461101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).