1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol

C15H16BrNO — CID 114024113

IUPAC1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(CC(O)c2cccc(C)c2Br)nc1
InChIInChI=1S/C15H16BrNO/c1-10-6-7-12(17-9-10)8-14(18)13-5-3-4-11(2)15(13)16/h3-7,9,14,18H,8H2,1-2H3
InChIKeyMKCOIEVOLUTUMH-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.74
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol

1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol (PubChem CID 114024113) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol
PubChem CID114024113
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(CC(O)c2cccc(C)c2Br)nc1
InChIInChI=1S/C15H16BrNO/c1-10-6-7-12(17-9-10)8-14(18)13-5-3-4-11(2)15(13)16/h3-7,9,14,18H,8H2,1-2H3
InChIKeyMKCOIEVOLUTUMH-UHFFFAOYSA-N
XLogP3.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461531
1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460933
1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 114021943
1-(2-bromo-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107985909
1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 107985817
1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79739903
2-(5-ethyl-2-pyridinyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822367
2-(5-methyl-2-pyridinyl)-1-naphthalen-1-ylethanamine
CID 66446913
1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460323
1-(2-bromo-3-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 107983842
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878
1-(2-bromo-3-methylphenyl)but-3-yn-1-ol
CID 107985878

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol (CID 114024113) is 1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol is Cc1ccc(CC(O)c2cccc(C)c2Br)nc1.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The InChIKey is MKCOIEVOLUTUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-6-7-12(17-9-10)8-14(18)13-5-3-4-11(2)15(13)16/h3-7,9,14,18H,8H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol?
1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol has a molecular weight of 306.20 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 114024113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).