2-(2,4,6-trichlorophenyl)furan

C10H5Cl3O — CID 91803022

IUPAC2-(2,4,6-trichlorophenyl)furan
SMILESClc1cc(Cl)c(-c2ccco2)c(Cl)c1
InChIInChI=1S/C10H5Cl3O/c11-6-4-7(12)10(8(13)5-6)9-2-1-3-14-9/h1-5H
InChIKeyOPAMSTKIKQICGL-UHFFFAOYSA-N
MW247.51 g/mol
LogP4.91
Rot. Bonds1

About 2-(2,4,6-trichlorophenyl)furan

2-(2,4,6-trichlorophenyl)furan (PubChem CID 91803022) has the molecular formula C10H5Cl3O and a molecular weight of 247.51 g/mol. Its IUPAC name is 2-(2,4,6-trichlorophenyl)furan.

Molecular Properties

Compound Name2-(2,4,6-trichlorophenyl)furan
PubChem CID91803022
Molecular FormulaC10H5Cl3O
Molecular Weight247.51 g/mol
Exact Mass245.94
IUPAC Name2-(2,4,6-trichlorophenyl)furan
SMILESClc1cc(Cl)c(-c2ccco2)c(Cl)c1
InChIInChI=1S/C10H5Cl3O/c11-6-4-7(12)10(8(13)5-6)9-2-1-3-14-9/h1-5H
InChIKeyOPAMSTKIKQICGL-UHFFFAOYSA-N
XLogP4.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trichlorophenyl)furan?
The IUPAC name of 2-(2,4,6-trichlorophenyl)furan (CID 91803022) is 2-(2,4,6-trichlorophenyl)furan.
What is the SMILES notation for 2-(2,4,6-trichlorophenyl)furan?
The canonical SMILES for 2-(2,4,6-trichlorophenyl)furan is Clc1cc(Cl)c(-c2ccco2)c(Cl)c1.
What is the InChIKey of 2-(2,4,6-trichlorophenyl)furan?
The InChIKey is OPAMSTKIKQICGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3O/c11-6-4-7(12)10(8(13)5-6)9-2-1-3-14-9/h1-5H.
What are the key properties of 2-(2,4,6-trichlorophenyl)furan?
2-(2,4,6-trichlorophenyl)furan has a molecular weight of 247.51 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trichlorophenyl)furan is sourced from PubChem (CID 91803022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).