5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one

C13H14O3 — CID 71442207

IUPAC5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one
SMILESCOc1ccc(C2=CC(C)(C)C(=O)O2)cc1
InChIInChI=1S/C13H14O3/c1-13(2)8-11(16-12(13)14)9-4-6-10(15-3)7-5-9/h4-8H,1-3H3
InChIKeyJTSOMJPAPMFHRN-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.62
Rot. Bonds2

About 5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one

5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one (PubChem CID 71442207) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one
PubChem CID71442207
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one
SMILESCOc1ccc(C2=CC(C)(C)C(=O)O2)cc1
InChIInChI=1S/C13H14O3/c1-13(2)8-11(16-12(13)14)9-4-6-10(15-3)7-5-9/h4-8H,1-3H3
InChIKeyJTSOMJPAPMFHRN-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate
CID 101389682
6-(4-methoxyphenyl)-3,4-dihydropyran-2-one
CID 11183315
5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan
CID 141282351
6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one
CID 2931438
3-(4-methoxyphenyl)spiro[benzo[f]chromene-1,2'-indene]-1',3'-dione
CID 139228865
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(6R)-6-(4-methoxyphenyl)-3,3,5,5-tetramethyloxane-2,4-dione
CID 723175
4-bromo-5-(4-methoxyphenyl)-2,2-dimethylfuran-3-one
CID 59354799
4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one
CID 13330270
(4aS)-4a-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]oxazin-1-one
CID 122206876
4-chloro-5-(4-methoxyphenyl)furan-2,3-dione
CID 13308165
5-(4-methoxyphenyl)-2,3-dihydrofuran
CID 101192836

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one (CID 71442207) is 5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one is COc1ccc(C2=CC(C)(C)C(=O)O2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one?
The InChIKey is JTSOMJPAPMFHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-13(2)8-11(16-12(13)14)9-4-6-10(15-3)7-5-9/h4-8H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one?
5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one has a molecular weight of 218.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one is sourced from PubChem (CID 71442207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).