2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan

C19H18O3S — CID 173279167

IUPAC2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan
SMILESCCc1ccc(S(C)(=O)=O)c(-c2ccc(-c3ccco3)cc2)c1
InChIInChI=1S/C19H18O3S/c1-3-14-6-11-19(23(2,20)21)17(13-14)15-7-9-16(10-8-15)18-5-4-12-22-18/h4-13H,3H2,1-2H3
InChIKeyCROWGWVMAYCZBH-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.58
Rot. Bonds4

About 2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan

2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan (PubChem CID 173279167) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan.

Molecular Properties

Compound Name2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan
PubChem CID173279167
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Name2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan
SMILESCCc1ccc(S(C)(=O)=O)c(-c2ccc(-c3ccco3)cc2)c1
InChIInChI=1S/C19H18O3S/c1-3-14-6-11-19(23(2,20)21)17(13-14)15-7-9-16(10-8-15)18-5-4-12-22-18/h4-13H,3H2,1-2H3
InChIKeyCROWGWVMAYCZBH-UHFFFAOYSA-N
XLogP4.58
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan?
The IUPAC name of 2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan (CID 173279167) is 2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan.
What is the SMILES notation for 2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan?
The canonical SMILES for 2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan is CCc1ccc(S(C)(=O)=O)c(-c2ccc(-c3ccco3)cc2)c1.
What is the InChIKey of 2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan?
The InChIKey is CROWGWVMAYCZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3S/c1-3-14-6-11-19(23(2,20)21)17(13-14)15-7-9-16(10-8-15)18-5-4-12-22-18/h4-13H,3H2,1-2H3.
What are the key properties of 2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan?
2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan has a molecular weight of 326.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-2-methylsulfonylphenyl)phenyl]furan is sourced from PubChem (CID 173279167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).