1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone

C18H17NO4 — CID 24987776

IUPAC1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone
SMILESCC(=O)[C@H]1C[C@@H](c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17NO4/c1-12(20)16-11-17(13-5-3-2-4-6-13)23-18(16)14-7-9-15(10-8-14)19(21)22/h2-10,16-18H,11H2,1H3/t16-,17+,18+/m1/s1
InChIKeyKTSZSLOIJINMSE-SQNIBIBYSA-N
MW311.34 g/mol
LogP4.00
Rot. Bonds4

About 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone

1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone (PubChem CID 24987776) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone
PubChem CID24987776
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone
SMILESCC(=O)[C@H]1C[C@@H](c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17NO4/c1-12(20)16-11-17(13-5-3-2-4-6-13)23-18(16)14-7-9-15(10-8-14)19(21)22/h2-10,16-18H,11H2,1H3/t16-,17+,18+/m1/s1
InChIKeyKTSZSLOIJINMSE-SQNIBIBYSA-N
XLogP4.00
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.00
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'}

Analyze 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone 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

[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone
CID 24987775
(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
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
[(2S,3R)-2-(4-nitrophenyl)oxolan-3-yl]-phenylmethanone
CID 11779363
(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one
CID 102323795
(4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 71444866
(1S,3R)-1-methyl-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 15425708
4-phenyloxetane-2-carboxylic acid
CID 20744932
[(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane
CID 11753648
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone?
The IUPAC name of 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone (CID 24987776) is 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone?
The canonical SMILES for 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone is CC(=O)[C@H]1C[C@@H](c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone?
The InChIKey is KTSZSLOIJINMSE-SQNIBIBYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12(20)16-11-17(13-5-3-2-4-6-13)23-18(16)14-7-9-15(10-8-14)19(21)22/h2-10,16-18H,11H2,1H3/t16-,17+,18+/m1/s1.
What are the key properties of 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone?
1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone has a molecular weight of 311.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone is sourced from PubChem (CID 24987776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).