6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate

C70H49F3O21 — CID 162038611

IUPAC6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate
SMILESCOC(=O)c1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1.COC(=O)c1cc(=O)c(OCc2ccccc2)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1.O=C(O)c1cc(=O)c(OCc2ccccc2)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1
InChIInChI=1S/C26H19FO7.C25H17FO7.C19H13FO7/c1-31-26(30)22-14-20(28)24(32-15-17-5-3-2-4-6-17)25(34-22)23(29)21-12-11-19(33-21)13-16-7-9-18(27)10-8-16;26-17-8-6-15(7-9-17)12-18-10-11-20(32-18)22(28)24-23(19(27)13-21(33-24)25(29)30)31-14-16-4-2-1-3-5-16;1-25-19(24)15-9-13(21)16(22)18(27-15)17(23)14-7-6-12(26-14)8-10-2-4-11(20)5-3-10/h2-12,14H,13,15H2,1H3;1-11,13H,12,14H2,(H,29,30);2-7,9,22H,8H2,1H3
InChIKeyYWYYBEHAPBNYCY-UHFFFAOYSA-N
MW1283.13 g/mol
LogP11.72
Rot. Bonds21

About 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate

6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate (PubChem CID 162038611) has the molecular formula C70H49F3O21 and a molecular weight of 1283.13 g/mol. Its IUPAC name is 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate.

Molecular Properties

Compound Name6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate
PubChem CID162038611
Molecular FormulaC70H49F3O21
Molecular Weight1283.13 g/mol
Exact Mass1282.27
IUPAC Name6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate
SMILESCOC(=O)c1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1.COC(=O)c1cc(=O)c(OCc2ccccc2)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1.O=C(O)c1cc(=O)c(OCc2ccccc2)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1
InChIInChI=1S/C26H19FO7.C25H17FO7.C19H13FO7/c1-31-26(30)22-14-20(28)24(32-15-17-5-3-2-4-6-17)25(34-22)23(29)21-12-11-19(33-21)13-16-7-9-18(27)10-8-16;26-17-8-6-15(7-9-17)12-18-10-11-20(32-18)22(28)24-23(19(27)13-21(33-24)25(29)30)31-14-16-4-2-1-3-5-16;1-25-19(24)15-9-13(21)16(22)18(27-15)17(23)14-7-6-12(26-14)8-10-2-4-11(20)5-3-10/h2-12,14H,13,15H2,1H3;1-11,13H,12,14H2,(H,29,30);2-7,9,22H,8H2,1H3
InChIKeyYWYYBEHAPBNYCY-UHFFFAOYSA-N
XLogP11.72
TPSA309.85 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001283.13
LogP ≤ 511.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate with MolForge

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Related Compounds

2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one
CID 142666049
5-butoxy-6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxopyran-2-carbaldehyde
CID 118247992
5-[6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-yl]pent-2-enoic acid;oxolane;2-propan-2-yloxypropane
CID 173018821
methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(morpholine-4-carbonyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(morpholine-4-carbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 158130691
methyl 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 10709261
dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate
CID 59696253
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
CID 88612540
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one
CID 66789283
5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 83641773
dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 78357965
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate?
The IUPAC name of 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate (CID 162038611) is 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate.
What is the SMILES notation for 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate?
The canonical SMILES for 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate is COC(=O)c1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1.COC(=O)c1cc(=O)c(OCc2ccccc2)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1.O=C(O)c1cc(=O)c(OCc2ccccc2)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1.
What is the InChIKey of 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate?
The InChIKey is YWYYBEHAPBNYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FO7.C25H17FO7.C19H13FO7/c1-31-26(30)22-14-20(28)24(32-15-17-5-3-2-4-6-17)25(34-22)23(29)21-12-11-19(33-21)13-16-7-9-18(27)10-8-16;26-17-8-6-15(7-9-17)12-18-10-11-20(32-18)22(28)24-23(19(27)13-21(33-24)25(29)30)31-14-16-4-2-1-3-5-16;1-25-19(24)15-9-13(21)16(22)18(27-15)17(23)14-7-6-12(26-14)8-10-2-4-11(20)5-3-10/h2-12,14H,13,15H2,1H3;1-11,13H,12,14H2,(H,29,30);2-7,9,22H,8H2,1H3.
What are the key properties of 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate?
6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate has a molecular weight of 1283.13 g/mol, XLogP of 11.72, 21 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate is sourced from PubChem (CID 162038611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).