7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran

C13H17ClO — CID 10421205

IUPAC7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran
SMILESCCC1(C)Cc2c(C)c(C)cc(Cl)c2O1
InChIInChI=1S/C13H17ClO/c1-5-13(4)7-10-9(3)8(2)6-11(14)12(10)15-13/h6H,5,7H2,1-4H3
InChIKeyQYFQHYGOKVVDEZ-UHFFFAOYSA-N
MW224.73 g/mol
LogP4.06
Rot. Bonds1

About 7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran

7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran (PubChem CID 10421205) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran
PubChem CID10421205
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran
SMILESCCC1(C)Cc2c(C)c(C)cc(Cl)c2O1
InChIInChI=1S/C13H17ClO/c1-5-13(4)7-10-9(3)8(2)6-11(14)12(10)15-13/h6H,5,7H2,1-4H3
InChIKeyQYFQHYGOKVVDEZ-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran?
The IUPAC name of 7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran (CID 10421205) is 7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran.
What is the SMILES notation for 7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran?
The canonical SMILES for 7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran is CCC1(C)Cc2c(C)c(C)cc(Cl)c2O1.
What is the InChIKey of 7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran?
The InChIKey is QYFQHYGOKVVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-5-13(4)7-10-9(3)8(2)6-11(14)12(10)15-13/h6H,5,7H2,1-4H3.
What are the key properties of 7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran?
7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran has a molecular weight of 224.73 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-2,4,5-trimethyl-3H-1-benzofuran is sourced from PubChem (CID 10421205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).