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

C13H12O2 — CID 73356726

IUPAC5-methyl-5-[(E)-2-phenylethenyl]furan-2-one
SMILESCC1(/C=C/c2ccccc2)C=CC(=O)O1
InChIInChI=1S/C13H12O2/c1-13(10-8-12(14)15-13)9-7-11-5-3-2-4-6-11/h2-10H,1H3/b9-7+
InChIKeyQESCCKFXSFDWHF-VQHVLOKHSA-N
MW200.24 g/mol
LogP2.57
Rot. Bonds2

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

5-methyl-5-[(E)-2-phenylethenyl]furan-2-one (PubChem CID 73356726) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-methyl-5-[(E)-2-phenylethenyl]furan-2-one.

Molecular Properties

Compound Name5-methyl-5-[(E)-2-phenylethenyl]furan-2-one
PubChem CID73356726
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name5-methyl-5-[(E)-2-phenylethenyl]furan-2-one
SMILESCC1(/C=C/c2ccccc2)C=CC(=O)O1
InChIInChI=1S/C13H12O2/c1-13(10-8-12(14)15-13)9-7-11-5-3-2-4-6-11/h2-10H,1H3/b9-7+
InChIKeyQESCCKFXSFDWHF-VQHVLOKHSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(E)-2-phenylethenyl]furan-2-one?
The IUPAC name of 5-methyl-5-[(E)-2-phenylethenyl]furan-2-one (CID 73356726) is 5-methyl-5-[(E)-2-phenylethenyl]furan-2-one.
What is the SMILES notation for 5-methyl-5-[(E)-2-phenylethenyl]furan-2-one?
The canonical SMILES for 5-methyl-5-[(E)-2-phenylethenyl]furan-2-one is CC1(/C=C/c2ccccc2)C=CC(=O)O1.
What is the InChIKey of 5-methyl-5-[(E)-2-phenylethenyl]furan-2-one?
The InChIKey is QESCCKFXSFDWHF-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H12O2/c1-13(10-8-12(14)15-13)9-7-11-5-3-2-4-6-11/h2-10H,1H3/b9-7+.
What are the key properties of 5-methyl-5-[(E)-2-phenylethenyl]furan-2-one?
5-methyl-5-[(E)-2-phenylethenyl]furan-2-one has a molecular weight of 200.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(E)-2-phenylethenyl]furan-2-one is sourced from PubChem (CID 73356726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).