2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one

C19H15FO2 — CID 11130172

IUPAC2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one
SMILESCC1(c2ccc(F)cc2)OC(/C=C/c2ccccc2)=CC1=O
InChIInChI=1S/C19H15FO2/c1-19(15-8-10-16(20)11-9-15)18(21)13-17(22-19)12-7-14-5-3-2-4-6-14/h2-13H,1H3/b12-7+
InChIKeyBLNGREJNLYVDLG-KPKJPENVSA-N
MW294.33 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one

2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one (PubChem CID 11130172) has the molecular formula C19H15FO2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one
PubChem CID11130172
Molecular FormulaC19H15FO2
Molecular Weight294.33 g/mol
Exact Mass294.11
IUPAC Name2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one
SMILESCC1(c2ccc(F)cc2)OC(/C=C/c2ccccc2)=CC1=O
InChIInChI=1S/C19H15FO2/c1-19(15-8-10-16(20)11-9-15)18(21)13-17(22-19)12-7-14-5-3-2-4-6-14/h2-13H,1H3/b12-7+
InChIKeyBLNGREJNLYVDLG-KPKJPENVSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one (CID 11130172) is 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one is CC1(c2ccc(F)cc2)OC(/C=C/c2ccccc2)=CC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one?
The InChIKey is BLNGREJNLYVDLG-KPKJPENVSA-N. The full InChI is InChI=1S/C19H15FO2/c1-19(15-8-10-16(20)11-9-15)18(21)13-17(22-19)12-7-14-5-3-2-4-6-14/h2-13H,1H3/b12-7+.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one?
2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one has a molecular weight of 294.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-phenylethenyl]furan-3-one is sourced from PubChem (CID 11130172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).