phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate

C19H16O5 — CID 101389682

IUPACphenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate
SMILESCOc1ccc(C2=C[C@](C)(C(=O)Oc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C19H16O5/c1-19(17(20)23-15-6-4-3-5-7-15)12-16(24-18(19)21)13-8-10-14(22-2)11-9-13/h3-12H,1-2H3/t19-/m1/s1
InChIKeyPGFDKMCGWXLOJI-LJQANCHMSA-N
MW324.33 g/mol
LogP3.20
Rot. Bonds4

About phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate

phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate (PubChem CID 101389682) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate.

Molecular Properties

Compound Namephenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate
PubChem CID101389682
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Namephenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate
SMILESCOc1ccc(C2=C[C@](C)(C(=O)Oc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C19H16O5/c1-19(17(20)23-15-6-4-3-5-7-15)12-16(24-18(19)21)13-8-10-14(22-2)11-9-13/h3-12H,1-2H3/t19-/m1/s1
InChIKeyPGFDKMCGWXLOJI-LJQANCHMSA-N
XLogP3.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate 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

5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one
CID 71442207
phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 101263641
phenyl (4S)-2-(4-methoxyphenyl)-5-oxo-4-[(4-phenoxycarbonyloxyphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 102473354
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
benzyl 2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 132566513
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
phenyl (3R)-3-methyl-2-oxo-1-benzofuran-3-carboxylate
CID 101389680
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
(4-phenylphenyl) 5-methylfuran-2-carboxylate
CID 16552041
2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one
CID 15140152

Frequently Asked Questions

What is the IUPAC name of phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate?
The IUPAC name of phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate (CID 101389682) is phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate.
What is the SMILES notation for phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate?
The canonical SMILES for phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate is COc1ccc(C2=C[C@](C)(C(=O)Oc3ccccc3)C(=O)O2)cc1.
What is the InChIKey of phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate?
The InChIKey is PGFDKMCGWXLOJI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16O5/c1-19(17(20)23-15-6-4-3-5-7-15)12-16(24-18(19)21)13-8-10-14(22-2)11-9-13/h3-12H,1-2H3/t19-/m1/s1.
What are the key properties of phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate?
phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate has a molecular weight of 324.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate is sourced from PubChem (CID 101389682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).