(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone

C20H15NO4 — CID 7816651

IUPAC(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C20H15NO4/c22-19(15-7-3-1-4-8-15)20(16-9-5-2-6-10-16)25-18-13-11-17(12-14-18)21(23)24/h1-14,20H/t20-/m1/s1
InChIKeyXYYBUSTVSOOBCA-HXUWFJFHSA-N
MW333.34 g/mol
LogP4.60
Rot. Bonds6

About (2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone

(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone (PubChem CID 7816651) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone.

Molecular Properties

Compound Name(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
PubChem CID7816651
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C20H15NO4/c22-19(15-7-3-1-4-8-15)20(16-9-5-2-6-10-16)25-18-13-11-17(12-14-18)21(23)24/h1-14,20H/t20-/m1/s1
InChIKeyXYYBUSTVSOOBCA-HXUWFJFHSA-N
XLogP4.60
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.60
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

[(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 4-[4-[(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethoxy]carbonylphenoxy]benzoate
CID 126179213
[1-(4-nitrophenyl)-2-oxo-2-phenylethyl] acetate
CID 2754201
2-(4-nitrophenoxy)-1-phenylbutan-1-one
CID 61031389
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
1-benzhydryloxy-4-nitrobenzene
CID 7434051
[(1S)-2-oxo-1,2-diphenylethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 7852487
[(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 4-butoxybenzoate
CID 126190529
(2-oxo-1,2-diphenylethyl) 2-chloro-4-nitrobenzoate
CID 2936140
2-chloro-2-(4-nitrophenyl)-1-phenylethanone
CID 12546973
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
(2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 7816653
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 40812379

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone?
The IUPAC name of (2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone (CID 7816651) is (2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone.
What is the SMILES notation for (2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone?
The canonical SMILES for (2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone is O=C(c1ccccc1)[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of (2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone?
The InChIKey is XYYBUSTVSOOBCA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15NO4/c22-19(15-7-3-1-4-8-15)20(16-9-5-2-6-10-16)25-18-13-11-17(12-14-18)21(23)24/h1-14,20H/t20-/m1/s1.
What are the key properties of (2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone?
(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone has a molecular weight of 333.34 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone is sourced from PubChem (CID 7816651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).