3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran

C17H16F2O3 — CID 163495590

IUPAC3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran
SMILESCCOCCc1ccc2c(oc3c(F)c(OC)ccc32)c1F
InChIInChI=1S/C17H16F2O3/c1-3-21-9-8-10-4-5-11-12-6-7-13(20-2)15(19)17(12)22-16(11)14(10)18/h4-7H,3,8-9H2,1-2H3
InChIKeyCQJYWQZKQZUHII-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.45
Rot. Bonds5

About 3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran

3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran (PubChem CID 163495590) has the molecular formula C17H16F2O3 and a molecular weight of 306.31 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran
PubChem CID163495590
Molecular FormulaC17H16F2O3
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran
SMILESCCOCCc1ccc2c(oc3c(F)c(OC)ccc32)c1F
InChIInChI=1S/C17H16F2O3/c1-3-21-9-8-10-4-5-11-12-6-7-13(20-2)15(19)17(12)22-16(11)14(10)18/h4-7H,3,8-9H2,1-2H3
InChIKeyCQJYWQZKQZUHII-UHFFFAOYSA-N
XLogP4.45
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran?
The IUPAC name of 3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran (CID 163495590) is 3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran.
What is the SMILES notation for 3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran?
The canonical SMILES for 3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran is CCOCCc1ccc2c(oc3c(F)c(OC)ccc32)c1F.
What is the InChIKey of 3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran?
The InChIKey is CQJYWQZKQZUHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3/c1-3-21-9-8-10-4-5-11-12-6-7-13(20-2)15(19)17(12)22-16(11)14(10)18/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran?
3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran has a molecular weight of 306.31 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran is sourced from PubChem (CID 163495590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).