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

C13H14O2 — CID 506553

IUPAC2-ethyl-4-(4-methylphenyl)-2H-furan-5-one
SMILESCCC1C=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
InChIKeyRFBPKMXSXRYFDL-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.71
Rot. Bonds2

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

2-ethyl-4-(4-methylphenyl)-2H-furan-5-one (PubChem CID 506553) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-ethyl-4-(4-methylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-ethyl-4-(4-methylphenyl)-2H-furan-5-one
PubChem CID506553
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-ethyl-4-(4-methylphenyl)-2H-furan-5-one
SMILESCCC1C=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
InChIKeyRFBPKMXSXRYFDL-UHFFFAOYSA-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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Related Compounds

Butylphthalide
CID 61361
Methyl Benzoate
CID 7150
Dimethyl terephthalate
CID 8441
Butyl Benzoate
CID 8698
Hexyl benzoate
CID 23235
Allyl phenylacetate
CID 15717
Propyl Benzoate
CID 16846
Phenethyl Benzoate
CID 7194
3-Hexenyl benzoate, (3Z)-
CID 5367706
Ethyl phenylacetate
CID 7590
Prenyl benzoate
CID 21265
Ethyl benzoate
CID 7165

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-methylphenyl)-2H-furan-5-one?
The IUPAC name of 2-ethyl-4-(4-methylphenyl)-2H-furan-5-one (CID 506553) is 2-ethyl-4-(4-methylphenyl)-2H-furan-5-one.
What is the SMILES notation for 2-ethyl-4-(4-methylphenyl)-2H-furan-5-one?
The canonical SMILES for 2-ethyl-4-(4-methylphenyl)-2H-furan-5-one is CCC1C=C(c2ccc(C)cc2)C(=O)O1.
What is the InChIKey of 2-ethyl-4-(4-methylphenyl)-2H-furan-5-one?
The InChIKey is RFBPKMXSXRYFDL-UHFFFAOYSA-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.
What are the key properties of 2-ethyl-4-(4-methylphenyl)-2H-furan-5-one?
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 2-ethyl-4-(4-methylphenyl)-2H-furan-5-one is sourced from PubChem (CID 506553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).