diphenylphosphanyl-(2-nitrophenyl)methanone

C19H14NO3P — CID 23414453

IUPACdiphenylphosphanyl-(2-nitrophenyl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14NO3P/c21-19(17-13-7-8-14-18(17)20(22)23)24(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyROTXZDXFIFXWJG-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.87
Rot. Bonds5

About diphenylphosphanyl-(2-nitrophenyl)methanone

diphenylphosphanyl-(2-nitrophenyl)methanone (PubChem CID 23414453) has the molecular formula C19H14NO3P and a molecular weight of 335.30 g/mol. Its IUPAC name is diphenylphosphanyl-(2-nitrophenyl)methanone.

Molecular Properties

Compound Namediphenylphosphanyl-(2-nitrophenyl)methanone
PubChem CID23414453
Molecular FormulaC19H14NO3P
Molecular Weight335.30 g/mol
Exact Mass335.07
IUPAC Namediphenylphosphanyl-(2-nitrophenyl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14NO3P/c21-19(17-13-7-8-14-18(17)20(22)23)24(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyROTXZDXFIFXWJG-UHFFFAOYSA-N
XLogP3.87
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;2-nitrobenzoic acid
CID 19891435
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
sodium;hydride;2-nitrobenzoic acid
CID 173210089
(2-nitrobenzoyl) 2-nitrobenzoate
CID 548654
2,3-dinitrobenzoic acid;2-nitrobenzoic acid
CID 160869744
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
2-bromobenzoic acid;2-nitrobenzoic acid
CID 67658620
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
benzylazanium;2-nitrobenzoate
CID 139091257
(2-nitrophenyl)-oxomethanesulfonic acid
CID 150696280
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl-(2-nitrophenyl)methanone?
The IUPAC name of diphenylphosphanyl-(2-nitrophenyl)methanone (CID 23414453) is diphenylphosphanyl-(2-nitrophenyl)methanone.
What is the SMILES notation for diphenylphosphanyl-(2-nitrophenyl)methanone?
The canonical SMILES for diphenylphosphanyl-(2-nitrophenyl)methanone is O=C(c1ccccc1[N+](=O)[O-])P(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphanyl-(2-nitrophenyl)methanone?
The InChIKey is ROTXZDXFIFXWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14NO3P/c21-19(17-13-7-8-14-18(17)20(22)23)24(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H.
What are the key properties of diphenylphosphanyl-(2-nitrophenyl)methanone?
diphenylphosphanyl-(2-nitrophenyl)methanone has a molecular weight of 335.30 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl-(2-nitrophenyl)methanone is sourced from PubChem (CID 23414453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).