2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol

C16H16Br2O3 — CID 45258439

IUPAC2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol
SMILESCOc1cccc(OC)c1CCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H16Br2O3/c1-20-14-4-3-5-15(21-2)11(14)7-6-10-8-12(17)16(19)13(18)9-10/h3-5,8-9,19H,6-7H2,1-2H3
InChIKeyOLUWPUCDFICBPK-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.72
Rot. Bonds5

About 2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol

2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol (PubChem CID 45258439) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is 2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol
PubChem CID45258439
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol
SMILESCOc1cccc(OC)c1CCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H16Br2O3/c1-20-14-4-3-5-15(21-2)11(14)7-6-10-8-12(17)16(19)13(18)9-10/h3-5,8-9,19H,6-7H2,1-2H3
InChIKeyOLUWPUCDFICBPK-UHFFFAOYSA-N
XLogP4.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol?
The IUPAC name of 2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol (CID 45258439) is 2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol is COc1cccc(OC)c1CCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol?
The InChIKey is OLUWPUCDFICBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-20-14-4-3-5-15(21-2)11(14)7-6-10-8-12(17)16(19)13(18)9-10/h3-5,8-9,19H,6-7H2,1-2H3.
What are the key properties of 2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol?
2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol has a molecular weight of 416.11 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[2-(2,6-dimethoxyphenyl)ethyl]phenol is sourced from PubChem (CID 45258439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).