(2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one

C13H14O2 — CID 11344698

IUPAC(2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one
SMILESCC[C@H]1C=C(c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C13H14O2/c1-3-11-8-12(13(14)15-11)10-6-4-9(2)5-7-10/h4-8,11H,3H2,1-2H3/t11-/m0/s1
InChIKeyRFBPKMXSXRYFDL-NSHDSACASA-N
MW202.25 g/mol
LogP2.71
Rot. Bonds2

About (2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one

(2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one (PubChem CID 11344698) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one
PubChem CID11344698
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one
SMILESCC[C@H]1C=C(c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C13H14O2/c1-3-11-8-12(13(14)15-11)10-6-4-9(2)5-7-10/h4-8,11H,3H2,1-2H3/t11-/m0/s1
InChIKeyRFBPKMXSXRYFDL-NSHDSACASA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one?
The IUPAC name of (2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one (CID 11344698) is (2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one.
What is the SMILES notation for (2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one?
The canonical SMILES for (2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one is CC[C@H]1C=C(c2ccc(C)cc2)C(=O)O1.
What is the InChIKey of (2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one?
The InChIKey is RFBPKMXSXRYFDL-NSHDSACASA-N. The full InChI is InChI=1S/C13H14O2/c1-3-11-8-12(13(14)15-11)10-6-4-9(2)5-7-10/h4-8,11H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one?
(2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one has a molecular weight of 202.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-(4-methylphenyl)-2H-furan-5-one is sourced from PubChem (CID 11344698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).