3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione

C18H13FO4 — CID 11415710

IUPAC3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione
SMILESCOc1ccc(C2=C(Cc3ccc(F)cc3)C(=O)OC2=O)cc1
InChIInChI=1S/C18H13FO4/c1-22-14-8-4-12(5-9-14)16-15(17(20)23-18(16)21)10-11-2-6-13(19)7-3-11/h2-9H,10H2,1H3
InChIKeyDEEXYZRNVCOHJK-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.91
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione

3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione (PubChem CID 11415710) has the molecular formula C18H13FO4 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione
PubChem CID11415710
Molecular FormulaC18H13FO4
Molecular Weight312.30 g/mol
Exact Mass312.08
IUPAC Name3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione
SMILESCOc1ccc(C2=C(Cc3ccc(F)cc3)C(=O)OC2=O)cc1
InChIInChI=1S/C18H13FO4/c1-22-14-8-4-12(5-9-14)16-15(17(20)23-18(16)21)10-11-2-6-13(19)7-3-11/h2-9H,10H2,1H3
InChIKeyDEEXYZRNVCOHJK-UHFFFAOYSA-N
XLogP2.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione (CID 11415710) is 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione is COc1ccc(C2=C(Cc3ccc(F)cc3)C(=O)OC2=O)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione?
The InChIKey is DEEXYZRNVCOHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO4/c1-22-14-8-4-12(5-9-14)16-15(17(20)23-18(16)21)10-11-2-6-13(19)7-3-11/h2-9H,10H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione?
3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione has a molecular weight of 312.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)furan-2,5-dione is sourced from PubChem (CID 11415710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).