1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol

C16H18BrNO — CID 115822213

IUPAC1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(Br)cc2C)nc1
InChIInChI=1S/C16H18BrNO/c1-3-12-4-6-14(18-10-12)9-16(19)15-7-5-13(17)8-11(15)2/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyLKBRHWSJRVTDFS-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.99
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol

1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol (PubChem CID 115822213) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
PubChem CID115822213
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(Br)cc2C)nc1
InChIInChI=1S/C16H18BrNO/c1-3-12-4-6-14(18-10-12)9-16(19)15-7-5-13(17)8-11(15)2/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyLKBRHWSJRVTDFS-UHFFFAOYSA-N
XLogP3.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822341
1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740221
1-(4-bromo-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980728
1-(4-bromo-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81447383
1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822400
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 79739804
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-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethanol
CID 79740116
1-(3-chloro-4-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822386
1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81437627
[1-(4-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105280856

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol (CID 115822213) is 1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol is CCc1ccc(CC(O)c2ccc(Br)cc2C)nc1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The InChIKey is LKBRHWSJRVTDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-12-4-6-14(18-10-12)9-16(19)15-7-5-13(17)8-11(15)2/h4-8,10,16,19H,3,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol has a molecular weight of 320.23 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 115822213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).