(2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one

C15H11NO4 — CID 23941129

IUPAC(2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2O[C@H](c2ccccc2)[C@H]1[N+](=O)[O-]
InChIInChI=1S/C15H11NO4/c17-14-11-8-4-5-9-12(11)20-15(13(14)16(18)19)10-6-2-1-3-7-10/h1-9,13,15H/t13-,15+/m0/s1
InChIKeyHCQGZTMBXKVAEF-DZGCQCFKSA-N
MW269.26 g/mol
LogP2.65
Rot. Bonds2

About (2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one

(2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 23941129) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID23941129
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name(2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2O[C@H](c2ccccc2)[C@H]1[N+](=O)[O-]
InChIInChI=1S/C15H11NO4/c17-14-11-8-4-5-9-12(11)20-15(13(14)16(18)19)10-6-2-1-3-7-10/h1-9,13,15H/t13-,15+/m0/s1
InChIKeyHCQGZTMBXKVAEF-DZGCQCFKSA-N
XLogP2.65
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.65
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

(2S,3S)-3-hydroxy-2-(4-nitrophenyl)-2,3-dihydrochromen-4-one
CID 155544931
(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14713900
(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
CID 25171057
3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 174476724
[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium
CID 7212963
(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 14595238
3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride
CID 134106831
2-(4-nitrophenyl)-1,3-benzodioxole
CID 53305093
(2R,3S,4R)-3-nitro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 1229687
[(2R,3R)-2-(4-chlorophenyl)-4-oxo-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate
CID 10456932
2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one
CID 56607953

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one (CID 23941129) is (2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one is O=C1c2ccccc2O[C@H](c2ccccc2)[C@H]1[N+](=O)[O-].
What is the InChIKey of (2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is HCQGZTMBXKVAEF-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H11NO4/c17-14-11-8-4-5-9-12(11)20-15(13(14)16(18)19)10-6-2-1-3-7-10/h1-9,13,15H/t13-,15+/m0/s1.
What are the key properties of (2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one?
(2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 269.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 23941129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).