2-tert-butyl-5-(2,4-dichlorophenyl)furan

C14H14Cl2O — CID 59671598

IUPAC2-tert-butyl-5-(2,4-dichlorophenyl)furan
SMILESCC(C)(C)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H14Cl2O/c1-14(2,3)13-7-6-12(17-13)10-5-4-9(15)8-11(10)16/h4-8H,1-3H3
InChIKeyUWMNPJHAAZGJFI-UHFFFAOYSA-N
MW269.17 g/mol
LogP5.55
Rot. Bonds1

About 2-tert-butyl-5-(2,4-dichlorophenyl)furan

2-tert-butyl-5-(2,4-dichlorophenyl)furan (PubChem CID 59671598) has the molecular formula C14H14Cl2O and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,4-dichlorophenyl)furan.

Molecular Properties

Compound Name2-tert-butyl-5-(2,4-dichlorophenyl)furan
PubChem CID59671598
Molecular FormulaC14H14Cl2O
Molecular Weight269.17 g/mol
Exact Mass268.04
IUPAC Name2-tert-butyl-5-(2,4-dichlorophenyl)furan
SMILESCC(C)(C)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H14Cl2O/c1-14(2,3)13-7-6-12(17-13)10-5-4-9(15)8-11(10)16/h4-8H,1-3H3
InChIKeyUWMNPJHAAZGJFI-UHFFFAOYSA-N
XLogP5.55
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.17
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,4-dichlorophenyl)furan?
The IUPAC name of 2-tert-butyl-5-(2,4-dichlorophenyl)furan (CID 59671598) is 2-tert-butyl-5-(2,4-dichlorophenyl)furan.
What is the SMILES notation for 2-tert-butyl-5-(2,4-dichlorophenyl)furan?
The canonical SMILES for 2-tert-butyl-5-(2,4-dichlorophenyl)furan is CC(C)(C)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-tert-butyl-5-(2,4-dichlorophenyl)furan?
The InChIKey is UWMNPJHAAZGJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O/c1-14(2,3)13-7-6-12(17-13)10-5-4-9(15)8-11(10)16/h4-8H,1-3H3.
What are the key properties of 2-tert-butyl-5-(2,4-dichlorophenyl)furan?
2-tert-butyl-5-(2,4-dichlorophenyl)furan has a molecular weight of 269.17 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,4-dichlorophenyl)furan is sourced from PubChem (CID 59671598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).