methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate

C18H13FO4 — CID 135000056

IUPACmethyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate
SMILESCOC(=O)[C@@]1(c2ccc(F)cc2)OC(=O)C=C1c1ccccc1
InChIInChI=1S/C18H13FO4/c1-22-17(21)18(13-7-9-14(19)10-8-13)15(11-16(20)23-18)12-5-3-2-4-6-12/h2-11H,1H3/t18-/m0/s1
InChIKeyGUKDFFUNZDCILK-SFHVURJKSA-N
MW312.30 g/mol
LogP2.83
Rot. Bonds3

About methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate

methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate (PubChem CID 135000056) has the molecular formula C18H13FO4 and a molecular weight of 312.30 g/mol. Its IUPAC name is methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate
PubChem CID135000056
Molecular FormulaC18H13FO4
Molecular Weight312.30 g/mol
Exact Mass312.08
IUPAC Namemethyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate
SMILESCOC(=O)[C@@]1(c2ccc(F)cc2)OC(=O)C=C1c1ccccc1
InChIInChI=1S/C18H13FO4/c1-22-17(21)18(13-7-9-14(19)10-8-13)15(11-16(20)23-18)12-5-3-2-4-6-12/h2-11H,1H3/t18-/m0/s1
InChIKeyGUKDFFUNZDCILK-SFHVURJKSA-N
XLogP2.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(4-methylphenyl)-5-oxo-3-phenylfuran-2-carboxylate
CID 135063303
methyl 2-(2-methylpropanoyl)-5-oxo-3-phenylfuran-2-carboxylate
CID 135032131
dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate
CID 10662400
methyl (2S,3R)-3-anilino-2-(4-fluorophenyl)-3H-1-benzofuran-2-carboxylate
CID 146166768
8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 12832694
methyl 3-(4-phenylphenyl)oxetane-3-carboxylate
CID 116873513
methyl (4S)-4-[(4-fluorophenyl)methyl]-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 11313008
methyl (2S)-6-oxo-4-phenyl-2-[(E)-2-phenylethenyl]-3H-pyran-2-carboxylate
CID 138979264
methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate
CID 141008262
methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 90119599
methyl (1S,3S,3aS,6aS)-1-(4-fluorophenyl)-5-methyl-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 7400585
methyl (2S,3R)-3-chloro-6-oxo-4-phenyl-2-(2-phenylethynyl)-3H-pyran-2-carboxylate
CID 138978417

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate?
The IUPAC name of methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate (CID 135000056) is methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate.
What is the SMILES notation for methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate?
The canonical SMILES for methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate is COC(=O)[C@@]1(c2ccc(F)cc2)OC(=O)C=C1c1ccccc1.
What is the InChIKey of methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate?
The InChIKey is GUKDFFUNZDCILK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H13FO4/c1-22-17(21)18(13-7-9-14(19)10-8-13)15(11-16(20)23-18)12-5-3-2-4-6-12/h2-11H,1H3/t18-/m0/s1.
What are the key properties of methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate?
methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate is sourced from PubChem (CID 135000056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).