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

C19H18O4 — CID 59354748

IUPAC5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one
SMILESCOc1ccc(C2=C(c3ccc(O)cc3)OC(C)(C)C2=O)cc1
InChIInChI=1S/C19H18O4/c1-19(2)18(21)16(12-6-10-15(22-3)11-7-12)17(23-19)13-4-8-14(20)9-5-13/h4-11,20H,1-3H3
InChIKeyRYAIASRRSWUETM-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.65
Rot. Bonds3

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

5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one (PubChem CID 59354748) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one
PubChem CID59354748
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one
SMILESCOc1ccc(C2=C(c3ccc(O)cc3)OC(C)(C)C2=O)cc1
InChIInChI=1S/C19H18O4/c1-19(2)18(21)16(12-6-10-15(22-3)11-7-12)17(23-19)13-4-8-14(20)9-5-13/h4-11,20H,1-3H3
InChIKeyRYAIASRRSWUETM-UHFFFAOYSA-N
XLogP3.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one?
The IUPAC name of 5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one (CID 59354748) is 5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one is COc1ccc(C2=C(c3ccc(O)cc3)OC(C)(C)C2=O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one?
The InChIKey is RYAIASRRSWUETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-19(2)18(21)16(12-6-10-15(22-3)11-7-12)17(23-19)13-4-8-14(20)9-5-13/h4-11,20H,1-3H3.
What are the key properties of 5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one?
5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one has a molecular weight of 310.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one is sourced from PubChem (CID 59354748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).