2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one

C25H19FO5 — CID 142666049

IUPAC2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one
SMILESCc1coc(C(=O)c2ccc(Cc3ccc(F)cc3)o2)c(OCc2ccccc2)c1=O
InChIInChI=1S/C25H19FO5/c1-16-14-29-25(24(22(16)27)30-15-18-5-3-2-4-6-18)23(28)21-12-11-20(31-21)13-17-7-9-19(26)10-8-17/h2-12,14H,13,15H2,1H3
InChIKeyLFJRCUVRXSNPIW-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.08
Rot. Bonds7

About 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one

2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one (PubChem CID 142666049) has the molecular formula C25H19FO5 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one
PubChem CID142666049
Molecular FormulaC25H19FO5
Molecular Weight418.42 g/mol
Exact Mass418.12
IUPAC Name2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one
SMILESCc1coc(C(=O)c2ccc(Cc3ccc(F)cc3)o2)c(OCc2ccccc2)c1=O
InChIInChI=1S/C25H19FO5/c1-16-14-29-25(24(22(16)27)30-15-18-5-3-2-4-6-18)23(28)21-12-11-20(31-21)13-17-7-9-19(26)10-8-17/h2-12,14H,13,15H2,1H3
InChIKeyLFJRCUVRXSNPIW-UHFFFAOYSA-N
XLogP5.08
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-butoxy-6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxopyran-2-carbaldehyde
CID 118247992
methyl 5-[1-[(4-fluoro-2-methylphenyl)methylamino]ethenyl]-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 155155698
methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 58067095
1-(2,4-difluorophenyl)-N-methylmethanamine;methyl 5-formyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 155699761
3-[(4-fluorophenyl)methyl]-7-methyl-8-phenylmethoxyquinoline-5-carboxylic acid
CID 59696278
5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate
CID 129129992
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyran-2-carboxamide
CID 58859171
methyl (Z)-4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoate
CID 22209624
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2,4-dioxobutanoic acid
CID 91404110
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100665172
3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline
CID 62018326

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one (CID 142666049) is 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one is Cc1coc(C(=O)c2ccc(Cc3ccc(F)cc3)o2)c(OCc2ccccc2)c1=O.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one?
The InChIKey is LFJRCUVRXSNPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FO5/c1-16-14-29-25(24(22(16)27)30-15-18-5-3-2-4-6-18)23(28)21-12-11-20(31-21)13-17-7-9-19(26)10-8-17/h2-12,14H,13,15H2,1H3.
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one?
2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one has a molecular weight of 418.42 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one is sourced from PubChem (CID 142666049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).