2,3-bis(2,4-dichlorophenyl)furan

C16H8Cl4O — CID 163320542

IUPAC2,3-bis(2,4-dichlorophenyl)furan
SMILESClc1ccc(-c2ccoc2-c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H8Cl4O/c17-9-1-3-11(14(19)7-9)12-5-6-21-16(12)13-4-2-10(18)8-15(13)20/h1-8H
InChIKeyUBAMCIQFWYJOTA-UHFFFAOYSA-N
MW358.05 g/mol
LogP7.23
Rot. Bonds2

About 2,3-bis(2,4-dichlorophenyl)furan

2,3-bis(2,4-dichlorophenyl)furan (PubChem CID 163320542) has the molecular formula C16H8Cl4O and a molecular weight of 358.05 g/mol. Its IUPAC name is 2,3-bis(2,4-dichlorophenyl)furan.

Molecular Properties

Compound Name2,3-bis(2,4-dichlorophenyl)furan
PubChem CID163320542
Molecular FormulaC16H8Cl4O
Molecular Weight358.05 g/mol
Exact Mass355.93
IUPAC Name2,3-bis(2,4-dichlorophenyl)furan
SMILESClc1ccc(-c2ccoc2-c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H8Cl4O/c17-9-1-3-11(14(19)7-9)12-5-6-21-16(12)13-4-2-10(18)8-15(13)20/h1-8H
InChIKeyUBAMCIQFWYJOTA-UHFFFAOYSA-N
XLogP7.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.05
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,4-dichlorophenyl)furan?
The IUPAC name of 2,3-bis(2,4-dichlorophenyl)furan (CID 163320542) is 2,3-bis(2,4-dichlorophenyl)furan.
What is the SMILES notation for 2,3-bis(2,4-dichlorophenyl)furan?
The canonical SMILES for 2,3-bis(2,4-dichlorophenyl)furan is Clc1ccc(-c2ccoc2-c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,3-bis(2,4-dichlorophenyl)furan?
The InChIKey is UBAMCIQFWYJOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl4O/c17-9-1-3-11(14(19)7-9)12-5-6-21-16(12)13-4-2-10(18)8-15(13)20/h1-8H.
What are the key properties of 2,3-bis(2,4-dichlorophenyl)furan?
2,3-bis(2,4-dichlorophenyl)furan has a molecular weight of 358.05 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,4-dichlorophenyl)furan is sourced from PubChem (CID 163320542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).