1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol

C17H20BrNO2 — CID 115788146

IUPAC1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2cc(C)ccc2Br)c1C
InChIInChI=1S/C17H20BrNO2/c1-10-5-6-14(18)13(7-10)16(20)8-15-12(3)17(21-4)11(2)9-19-15/h5-7,9,16,20H,8H2,1-4H3
InChIKeyMBFDWFMXSDKQBN-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.05
Rot. Bonds4

About 1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol

1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol (PubChem CID 115788146) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
PubChem CID115788146
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2cc(C)ccc2Br)c1C
InChIInChI=1S/C17H20BrNO2/c1-10-5-6-14(18)13(7-10)16(20)8-15-12(3)17(21-4)11(2)9-19-15/h5-7,9,16,20H,8H2,1-4H3
InChIKeyMBFDWFMXSDKQBN-UHFFFAOYSA-N
XLogP4.05
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 65150589
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol
CID 62606511
1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 63085403
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol
CID 65148027
2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 82756625
1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 62607399
1-(3-chloro-5-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 114454284
1-(5-ethylfuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 65149722
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 115844012
1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 81117922
1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968240

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol (CID 115788146) is 1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol is COc1c(C)cnc(CC(O)c2cc(C)ccc2Br)c1C.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The InChIKey is MBFDWFMXSDKQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-10-5-6-14(18)13(7-10)16(20)8-15-12(3)17(21-4)11(2)9-19-15/h5-7,9,16,20H,8H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol has a molecular weight of 350.26 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 115788146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).