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

C15H14Br2O2 — CID 45258344

IUPAC2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol
SMILESCOc1ccccc1CCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H14Br2O2/c1-19-14-5-3-2-4-11(14)7-6-10-8-12(16)15(18)13(17)9-10/h2-5,8-9,18H,6-7H2,1H3
InChIKeyYBHSZCBMQPYFGE-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.71
Rot. Bonds4

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

2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol (PubChem CID 45258344) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol
PubChem CID45258344
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol
SMILESCOc1ccccc1CCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H14Br2O2/c1-19-14-5-3-2-4-11(14)7-6-10-8-12(16)15(18)13(17)9-10/h2-5,8-9,18H,6-7H2,1H3
InChIKeyYBHSZCBMQPYFGE-UHFFFAOYSA-N
XLogP4.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol?
The IUPAC name of 2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol (CID 45258344) is 2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol is COc1ccccc1CCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol?
The InChIKey is YBHSZCBMQPYFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-19-14-5-3-2-4-11(14)7-6-10-8-12(16)15(18)13(17)9-10/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol?
2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol has a molecular weight of 386.08 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[2-(2-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 45258344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).