[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone

C23H19NO4 — CID 24987775

IUPAC[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1C[C@@H](c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H19NO4/c25-22(17-9-5-2-6-10-17)20-15-21(16-7-3-1-4-8-16)28-23(20)18-11-13-19(14-12-18)24(26)27/h1-14,20-21,23H,15H2/t20-,21+,23+/m1/s1
InChIKeyUKYITHNIYKCLCV-GIWBLDEGSA-N
MW373.41 g/mol
LogP5.30
Rot. Bonds5

About [(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone

[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone (PubChem CID 24987775) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone
PubChem CID24987775
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1C[C@@H](c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H19NO4/c25-22(17-9-5-2-6-10-17)20-15-21(16-7-3-1-4-8-16)28-23(20)18-11-13-19(14-12-18)24(26)27/h1-14,20-21,23H,15H2/t20-,21+,23+/m1/s1
InChIKeyUKYITHNIYKCLCV-GIWBLDEGSA-N
XLogP5.30
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone
CID 24987776
[(2S,3R)-2-(4-nitrophenyl)oxolan-3-yl]-phenylmethanone
CID 11779363
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
(1R,2S,3R)-2-benzoyl-3-(4-nitrophenyl)cyclopropane-1-carbaldehyde
CID 102104980
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
[(2S,3R)-3-(3-nitrophenyl)oxiran-2-yl]-phenylmethanone
CID 11230992
(4-methylphenyl)-[(2S,3R)-3-(4-nitrophenyl)oxiran-2-yl]methanone
CID 132961714
(3-nitrophenyl)-(3-phenyloxiran-2-yl)methanone
CID 14468067
cis-(2R,3R)-2-benzoyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarbonitrile
CID 11449929
(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one
CID 102323795
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone?
The IUPAC name of [(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone (CID 24987775) is [(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone.
What is the SMILES notation for [(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone?
The canonical SMILES for [(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1C[C@@H](c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone?
The InChIKey is UKYITHNIYKCLCV-GIWBLDEGSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22(17-9-5-2-6-10-17)20-15-21(16-7-3-1-4-8-16)28-23(20)18-11-13-19(14-12-18)24(26)27/h1-14,20-21,23H,15H2/t20-,21+,23+/m1/s1.
What are the key properties of [(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone?
[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone has a molecular weight of 373.41 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone is sourced from PubChem (CID 24987775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).