7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran

C18H17ClO — CID 144770610

IUPAC7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran
SMILESCCc1ccc(-c2cc(Cl)c3oc(CC)cc3c2)cc1
InChIInChI=1S/C18H17ClO/c1-3-12-5-7-13(8-6-12)14-9-15-10-16(4-2)20-18(15)17(19)11-14/h5-11H,3-4H2,1-2H3
InChIKeyCZCIFIRCNWLKSJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP5.88
Rot. Bonds3

About 7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran

7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran (PubChem CID 144770610) has the molecular formula C18H17ClO and a molecular weight of 284.79 g/mol. Its IUPAC name is 7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran.

Molecular Properties

Compound Name7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran
PubChem CID144770610
Molecular FormulaC18H17ClO
Molecular Weight284.79 g/mol
Exact Mass284.10
IUPAC Name7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran
SMILESCCc1ccc(-c2cc(Cl)c3oc(CC)cc3c2)cc1
InChIInChI=1S/C18H17ClO/c1-3-12-5-7-13(8-6-12)14-9-15-10-16(4-2)20-18(15)17(19)11-14/h5-11H,3-4H2,1-2H3
InChIKeyCZCIFIRCNWLKSJ-UHFFFAOYSA-N
XLogP5.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.79
LogP ≤ 55.88
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-5-(4-ethylphenyl)-1-benzofuran?
The IUPAC name of 7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran (CID 144770610) is 7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran.
What is the SMILES notation for 7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran?
The canonical SMILES for 7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran is CCc1ccc(-c2cc(Cl)c3oc(CC)cc3c2)cc1.
What is the InChIKey of 7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran?
The InChIKey is CZCIFIRCNWLKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO/c1-3-12-5-7-13(8-6-12)14-9-15-10-16(4-2)20-18(15)17(19)11-14/h5-11H,3-4H2,1-2H3.
What are the key properties of 7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran?
7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran has a molecular weight of 284.79 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-5-(4-ethylphenyl)-1-benzofuran is sourced from PubChem (CID 144770610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).