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

C15H12Br2F2O2 — CID 45258443

IUPAC2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol
SMILESOc1c(Br)cc(CCc2ccc(OC(F)F)cc2)cc1Br
InChIInChI=1S/C15H12Br2F2O2/c16-12-7-10(8-13(17)14(12)20)2-1-9-3-5-11(6-4-9)21-15(18)19/h3-8,15,20H,1-2H2
InChIKeyRMEDGVYSJAKZFG-UHFFFAOYSA-N
MW422.06 g/mol
LogP5.30
Rot. Bonds5

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

2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol (PubChem CID 45258443) has the molecular formula C15H12Br2F2O2 and a molecular weight of 422.06 g/mol. Its IUPAC name is 2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol
PubChem CID45258443
Molecular FormulaC15H12Br2F2O2
Molecular Weight422.06 g/mol
Exact Mass419.92
IUPAC Name2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol
SMILESOc1c(Br)cc(CCc2ccc(OC(F)F)cc2)cc1Br
InChIInChI=1S/C15H12Br2F2O2/c16-12-7-10(8-13(17)14(12)20)2-1-9-3-5-11(6-4-9)21-15(18)19/h3-8,15,20H,1-2H2
InChIKeyRMEDGVYSJAKZFG-UHFFFAOYSA-N
XLogP5.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.06
LogP ≤ 55.30
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-[4-(difluoromethoxy)phenyl]ethyl]phenol?
The IUPAC name of 2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol (CID 45258443) is 2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol is Oc1c(Br)cc(CCc2ccc(OC(F)F)cc2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol?
The InChIKey is RMEDGVYSJAKZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F2O2/c16-12-7-10(8-13(17)14(12)20)2-1-9-3-5-11(6-4-9)21-15(18)19/h3-8,15,20H,1-2H2.
What are the key properties of 2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol?
2,6-dibromo-4-[2-[4-(difluoromethoxy)phenyl]ethyl]phenol has a molecular weight of 422.06 g/mol, XLogP of 5.30, 5 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-[4-(difluoromethoxy)phenyl]ethyl]phenol is sourced from PubChem (CID 45258443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).