2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol

C16H18BrNO2 — CID 104801686

IUPAC2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)Cc2ccc(Br)cn2)cc1
InChIInChI=1S/C16H18BrNO2/c1-11(2)20-15-7-3-12(4-8-15)16(19)9-14-6-5-13(17)10-18-14/h3-8,10-11,16,19H,9H2,1-2H3
InChIKeyQMPDQKFGKSZUPT-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.91
Rot. Bonds5

About 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol

2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 104801686) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID104801686
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)Cc2ccc(Br)cn2)cc1
InChIInChI=1S/C16H18BrNO2/c1-11(2)20-15-7-3-12(4-8-15)16(19)9-14-6-5-13(17)10-18-14/h3-8,10-11,16,19H,9H2,1-2H3
InChIKeyQMPDQKFGKSZUPT-UHFFFAOYSA-N
XLogP3.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502739
2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol
CID 104801712
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 62799330
5-bromo-N-methyl-N-(4-propan-2-yloxyphenyl)pyridin-2-amine
CID 115146583
2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 104800583
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
CID 115833121
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol (CID 104801686) is 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)Cc2ccc(Br)cn2)cc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is QMPDQKFGKSZUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(2)20-15-7-3-12(4-8-15)16(19)9-14-6-5-13(17)10-18-14/h3-8,10-11,16,19H,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 336.23 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 104801686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).