2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran

C27H19FO3 — CID 175558624

IUPAC2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran
SMILESCOc1ccc(-c2ccoc2-c2cc(-c3ccccc3)oc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C27H19FO3/c1-29-22-13-9-18(10-14-22)23-15-16-30-27(23)24-17-25(19-5-3-2-4-6-19)31-26(24)20-7-11-21(28)12-8-20/h2-17H,1H3
InChIKeyNLSMEOOCYJXYQC-UHFFFAOYSA-N
MW410.44 g/mol
LogP7.69
Rot. Bonds5

About 2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran

2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran (PubChem CID 175558624) has the molecular formula C27H19FO3 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran
PubChem CID175558624
Molecular FormulaC27H19FO3
Molecular Weight410.44 g/mol
Exact Mass410.13
IUPAC Name2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran
SMILESCOc1ccc(-c2ccoc2-c2cc(-c3ccccc3)oc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C27H19FO3/c1-29-22-13-9-18(10-14-22)23-15-16-30-27(23)24-17-25(19-5-3-2-4-6-19)31-26(24)20-7-11-21(28)12-8-20/h2-17H,1H3
InChIKeyNLSMEOOCYJXYQC-UHFFFAOYSA-N
XLogP7.69
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran?
The IUPAC name of 2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran (CID 175558624) is 2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran?
The canonical SMILES for 2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran is COc1ccc(-c2ccoc2-c2cc(-c3ccccc3)oc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran?
The InChIKey is NLSMEOOCYJXYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FO3/c1-29-22-13-9-18(10-14-22)23-15-16-30-27(23)24-17-25(19-5-3-2-4-6-19)31-26(24)20-7-11-21(28)12-8-20/h2-17H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran?
2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran has a molecular weight of 410.44 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)furan-2-yl]-5-phenylfuran is sourced from PubChem (CID 175558624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).