2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one

C17H14O2S — CID 11300541

IUPAC2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
SMILESCC1(c2ccccc2)OC(/C=C/c2ccsc2)=CC1=O
InChIInChI=1S/C17H14O2S/c1-17(14-5-3-2-4-6-14)16(18)11-15(19-17)8-7-13-9-10-20-12-13/h2-12H,1H3/b8-7+
InChIKeySPTZDLYVXGJHHF-BQYQJAHWSA-N
MW282.36 g/mol
LogP4.16
Rot. Bonds3

About 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one

2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one (PubChem CID 11300541) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one.

Molecular Properties

Compound Name2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
PubChem CID11300541
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
SMILESCC1(c2ccccc2)OC(/C=C/c2ccsc2)=CC1=O
InChIInChI=1S/C17H14O2S/c1-17(14-5-3-2-4-6-14)16(18)11-15(19-17)8-7-13-9-10-20-12-13/h2-12H,1H3/b8-7+
InChIKeySPTZDLYVXGJHHF-BQYQJAHWSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
The IUPAC name of 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one (CID 11300541) is 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one.
What is the SMILES notation for 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
The canonical SMILES for 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one is CC1(c2ccccc2)OC(/C=C/c2ccsc2)=CC1=O.
What is the InChIKey of 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
The InChIKey is SPTZDLYVXGJHHF-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H14O2S/c1-17(14-5-3-2-4-6-14)16(18)11-15(19-17)8-7-13-9-10-20-12-13/h2-12H,1H3/b8-7+.
What are the key properties of 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one has a molecular weight of 282.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one is sourced from PubChem (CID 11300541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).