3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran

C19H13FO2 — CID 45482754

IUPAC3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran
SMILESCc1ccc(-c2ccc3occ(-c4ccc(F)cc4)c3c2)o1
InChIInChI=1S/C19H13FO2/c1-12-2-8-18(22-12)14-5-9-19-16(10-14)17(11-21-19)13-3-6-15(20)7-4-13/h2-11H,1H3
InChIKeyQRSFTXAQTCFHKT-UHFFFAOYSA-N
MW292.31 g/mol
LogP5.81
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran

3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran (PubChem CID 45482754) has the molecular formula C19H13FO2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran
PubChem CID45482754
Molecular FormulaC19H13FO2
Molecular Weight292.31 g/mol
Exact Mass292.09
IUPAC Name3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran
SMILESCc1ccc(-c2ccc3occ(-c4ccc(F)cc4)c3c2)o1
InChIInChI=1S/C19H13FO2/c1-12-2-8-18(22-12)14-5-9-19-16(10-14)17(11-21-19)13-3-6-15(20)7-4-13/h2-11H,1H3
InChIKeyQRSFTXAQTCFHKT-UHFFFAOYSA-N
XLogP5.81
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.31
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran?
The IUPAC name of 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran (CID 45482754) is 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran?
The canonical SMILES for 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran is Cc1ccc(-c2ccc3occ(-c4ccc(F)cc4)c3c2)o1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran?
The InChIKey is QRSFTXAQTCFHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO2/c1-12-2-8-18(22-12)14-5-9-19-16(10-14)17(11-21-19)13-3-6-15(20)7-4-13/h2-11H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran?
3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran has a molecular weight of 292.31 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-1-benzofuran is sourced from PubChem (CID 45482754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).