[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

C23H20O6 — CID 7727975

IUPAC[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1
InChIInChI=1S/C23H20O6/c1-14(24)16-4-6-17(7-5-16)20-12-13-21(29-20)23(26)28-15(2)22(25)18-8-10-19(27-3)11-9-18/h4-13,15H,1-3H3/t15-/m1/s1
InChIKeyYZYPXKVXOCZOER-OAHLLOKOSA-N
MW392.41 g/mol
LogP4.59
Rot. Bonds7

About [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 7727975) has the molecular formula C23H20O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID7727975
Molecular FormulaC23H20O6
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1
InChIInChI=1S/C23H20O6/c1-14(24)16-4-6-17(7-5-16)20-12-13-21(29-20)23(26)28-15(2)22(25)18-8-10-19(27-3)11-9-18/h4-13,15H,1-3H3/t15-/m1/s1
InChIKeyYZYPXKVXOCZOER-OAHLLOKOSA-N
XLogP4.59
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
CID 42034197
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 16572310
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727900
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7355757
[1-(cycloheptylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18091724
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8951023
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950868
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950941
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 7540141
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950966
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727870
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727944

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 7727975) is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1.
What is the InChIKey of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is YZYPXKVXOCZOER-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20O6/c1-14(24)16-4-6-17(7-5-16)20-12-13-21(29-20)23(26)28-15(2)22(25)18-8-10-19(27-3)11-9-18/h4-13,15H,1-3H3/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 392.41 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 7727975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).