2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran

C18H16F2O3 — CID 134369998

IUPAC2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran
SMILESCCOc1ccc(-c2cc3cc(OCC)oc3c(F)c2F)cc1
InChIInChI=1S/C18H16F2O3/c1-3-21-13-7-5-11(6-8-13)14-9-12-10-15(22-4-2)23-18(12)17(20)16(14)19/h5-10H,3-4H2,1-2H3
InChIKeyAPAKOMMPIDJSCN-UHFFFAOYSA-N
MW318.32 g/mol
LogP5.18
Rot. Bonds5

About 2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran

2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran (PubChem CID 134369998) has the molecular formula C18H16F2O3 and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran.

Molecular Properties

Compound Name2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran
PubChem CID134369998
Molecular FormulaC18H16F2O3
Molecular Weight318.32 g/mol
Exact Mass318.11
IUPAC Name2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran
SMILESCCOc1ccc(-c2cc3cc(OCC)oc3c(F)c2F)cc1
InChIInChI=1S/C18H16F2O3/c1-3-21-13-7-5-11(6-8-13)14-9-12-10-15(22-4-2)23-18(12)17(20)16(14)19/h5-10H,3-4H2,1-2H3
InChIKeyAPAKOMMPIDJSCN-UHFFFAOYSA-N
XLogP5.18
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.32
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran?
The IUPAC name of 2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran (CID 134369998) is 2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran.
What is the SMILES notation for 2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran?
The canonical SMILES for 2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran is CCOc1ccc(-c2cc3cc(OCC)oc3c(F)c2F)cc1.
What is the InChIKey of 2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran?
The InChIKey is APAKOMMPIDJSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O3/c1-3-21-13-7-5-11(6-8-13)14-9-12-10-15(22-4-2)23-18(12)17(20)16(14)19/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran?
2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran has a molecular weight of 318.32 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran is sourced from PubChem (CID 134369998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).