ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate

C24H19FO4 — CID 25213191

IUPACethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate
SMILESCCOC(=O)[C@]1(F)C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19FO4/c1-2-28-23(27)24(25)21(26)19-10-6-7-11-20(19)29-22(24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,22H,2H2,1H3/t22-,24+/m1/s1
InChIKeyXYKYRZDKMQNONO-VWNXMTODSA-N
MW390.41 g/mol
LogP4.94
Rot. Bonds4

About ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate

ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate (PubChem CID 25213191) has the molecular formula C24H19FO4 and a molecular weight of 390.41 g/mol. Its IUPAC name is ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate
PubChem CID25213191
Molecular FormulaC24H19FO4
Molecular Weight390.41 g/mol
Exact Mass390.13
IUPAC Nameethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate
SMILESCCOC(=O)[C@]1(F)C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19FO4/c1-2-28-23(27)24(25)21(26)19-10-6-7-11-20(19)29-22(24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,22H,2H2,1H3/t22-,24+/m1/s1
InChIKeyXYKYRZDKMQNONO-VWNXMTODSA-N
XLogP4.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-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

ethyl (2R,3R)-2-(3-bromophenyl)-3-fluoro-4-oxo-2H-chromene-3-carboxylate
CID 25213430
ethyl 3-cyclopropyl-2-(4-fluorophenyl)-2H-1-benzofuran-3-carboxylate
CID 172816125
(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 177403200
3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3856663
ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate
CID 10335542
diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate
CID 58112707
(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 6554166
methyl 4-oxo-3-penta-2,3-dienyl-2-phenyl-2H-chromene-3-carboxylate
CID 171780577
ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 177477129
ethyl 2,3-diphenyloxirane-2-carboxylate
CID 12916722
diethyl (2S)-4-phenyl-2H-chromene-2,3-dicarboxylate
CID 11772543
2-ethyl-3-methyl-4-oxo-2H-chromene-3-carboxylic acid
CID 68674193

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate?
The IUPAC name of ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate (CID 25213191) is ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate?
The canonical SMILES for ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate is CCOC(=O)[C@]1(F)C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate?
The InChIKey is XYKYRZDKMQNONO-VWNXMTODSA-N. The full InChI is InChI=1S/C24H19FO4/c1-2-28-23(27)24(25)21(26)19-10-6-7-11-20(19)29-22(24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,22H,2H2,1H3/t22-,24+/m1/s1.
What are the key properties of ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate?
ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate has a molecular weight of 390.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate is sourced from PubChem (CID 25213191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).