4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one

C26H24O4 — CID 59354781

IUPAC4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one
SMILESCOc1ccc(C2=C(c3ccc(OCc4ccccc4)cc3)OC(C)(C)C2=O)cc1
InChIInChI=1S/C26H24O4/c1-26(2)25(27)23(19-9-13-21(28-3)14-10-19)24(30-26)20-11-15-22(16-12-20)29-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3
InChIKeyXFYWNTGVBYCVKK-UHFFFAOYSA-N
MW400.47 g/mol
LogP5.52
Rot. Bonds6

About 4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one

4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one (PubChem CID 59354781) has the molecular formula C26H24O4 and a molecular weight of 400.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one
PubChem CID59354781
Molecular FormulaC26H24O4
Molecular Weight400.47 g/mol
Exact Mass400.17
IUPAC Name4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one
SMILESCOc1ccc(C2=C(c3ccc(OCc4ccccc4)cc3)OC(C)(C)C2=O)cc1
InChIInChI=1S/C26H24O4/c1-26(2)25(27)23(19-9-13-21(28-3)14-10-19)24(30-26)20-11-15-22(16-12-20)29-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3
InChIKeyXFYWNTGVBYCVKK-UHFFFAOYSA-N
XLogP5.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one
CID 59354846
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
5-(4-isocyanophenyl)-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-one
CID 59354772
4-bromo-5-(4-methoxyphenyl)-2,2-dimethylfuran-3-one
CID 59354799
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione
CID 141397576
4-methoxy-3-methyl-4-(3-phenylmethoxyphenyl)-2-(4-phenylmethoxyphenyl)cyclobut-2-en-1-one
CID 87489174
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
4-(3-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 11314765
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one
CID 67894059
6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione
CID 15054377

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one?
The IUPAC name of 4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one (CID 59354781) is 4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one is COc1ccc(C2=C(c3ccc(OCc4ccccc4)cc3)OC(C)(C)C2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one?
The InChIKey is XFYWNTGVBYCVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O4/c1-26(2)25(27)23(19-9-13-21(28-3)14-10-19)24(30-26)20-11-15-22(16-12-20)29-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one?
4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one has a molecular weight of 400.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one is sourced from PubChem (CID 59354781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).