[(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone

C24H19IO2 — CID 101207650

IUPAC[(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone
SMILESO=C(C1=C(c2ccccc2)O[C@H](CI)[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19IO2/c25-16-20-21(17-10-4-1-5-11-17)22(23(26)18-12-6-2-7-13-18)24(27-20)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21+/m1/s1
InChIKeyNRQFJQRFJMFPMC-RTWAWAEBSA-N
MW466.32 g/mol
LogP5.90
Rot. Bonds5

About [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone

[(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone (PubChem CID 101207650) has the molecular formula C24H19IO2 and a molecular weight of 466.32 g/mol. Its IUPAC name is [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone
PubChem CID101207650
Molecular FormulaC24H19IO2
Molecular Weight466.32 g/mol
Exact Mass466.04
IUPAC Name[(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone
SMILESO=C(C1=C(c2ccccc2)O[C@H](CI)[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19IO2/c25-16-20-21(17-10-4-1-5-11-17)22(23(26)18-12-6-2-7-13-18)24(27-20)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21+/m1/s1
InChIKeyNRQFJQRFJMFPMC-RTWAWAEBSA-N
XLogP5.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone 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

Diphenylmethyl benzoate
CID 280558
DL-Benzoin benzoate
CID 246708
Benzoin isobutyl ether
CID 90794
2-Phenyl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
CID 15743021
4-Phenylchalcone oxide
CID 150734
2-(Iodomethyl)-2,3-dihydrobenzo[g]benzofuran-4,5-dione
CID 11566286
2-Ethylhexyl 4-Phenylbenzophenone-2'-Carboxylate
CID 135606
2-Phenyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 14841863
1,2-Diphenyl-2-phenylmethoxyethanone
CID 13806931
2-phenyl-3,4-dihydro-2H-benzo(h)chromene-5,6-dione
CID 11659297
2,3,4-triphenyl-2H-furan-5-one
CID 345736
4-(Benzyloxy)-1-phenylbutan-1-one
CID 22312021

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone?
The IUPAC name of [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone (CID 101207650) is [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone.
What is the SMILES notation for [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone?
The canonical SMILES for [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone is O=C(C1=C(c2ccccc2)O[C@H](CI)[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone?
The InChIKey is NRQFJQRFJMFPMC-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H19IO2/c25-16-20-21(17-10-4-1-5-11-17)22(23(26)18-12-6-2-7-13-18)24(27-20)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21+/m1/s1.
What are the key properties of [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone?
[(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone has a molecular weight of 466.32 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(iodomethyl)-3,5-diphenyl-2,3-dihydrofuran-4-yl]-phenylmethanone is sourced from PubChem (CID 101207650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).