diphenylphosphanyl-(2-nitrophenyl)methanol

C19H16NO3P — CID 91174471

IUPACdiphenylphosphanyl-(2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccccc1C(O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16NO3P/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/h1-14,19,21H
InChIKeyWYAMOEZDQZJIAX-UHFFFAOYSA-N
MW337.32 g/mol
LogP3.72
Rot. Bonds5

About diphenylphosphanyl-(2-nitrophenyl)methanol

diphenylphosphanyl-(2-nitrophenyl)methanol (PubChem CID 91174471) has the molecular formula C19H16NO3P and a molecular weight of 337.32 g/mol. Its IUPAC name is diphenylphosphanyl-(2-nitrophenyl)methanol.

Molecular Properties

Compound Namediphenylphosphanyl-(2-nitrophenyl)methanol
PubChem CID91174471
Molecular FormulaC19H16NO3P
Molecular Weight337.32 g/mol
Exact Mass337.09
IUPAC Namediphenylphosphanyl-(2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccccc1C(O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16NO3P/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/h1-14,19,21H
InChIKeyWYAMOEZDQZJIAX-UHFFFAOYSA-N
XLogP3.72
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
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

2-(2-nitrophenyl)propanedioic acid
CID 18413218
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
2,2,2-trichloro-1-(2-nitrophenyl)ethanol
CID 11207975
(2S)-2-bromo-2-(2-nitrophenyl)acetic acid
CID 97170538
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921
1,3-dibromo-1,3-bis(2-nitrophenyl)propan-2-one
CID 101219469
(2-nitrophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 45103211
(1R,2S)-1-(2-nitrophenyl)-2-phenylbut-3-en-1-ol
CID 102050815
2-bromo-3-hydroxy-3-(2-nitrophenyl)-1-phenylpropan-1-one
CID 50901136
(2S)-2-(2-nitrophenyl)butanoic acid
CID 93333341

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl-(2-nitrophenyl)methanol?
The IUPAC name of diphenylphosphanyl-(2-nitrophenyl)methanol (CID 91174471) is diphenylphosphanyl-(2-nitrophenyl)methanol.
What is the SMILES notation for diphenylphosphanyl-(2-nitrophenyl)methanol?
The canonical SMILES for diphenylphosphanyl-(2-nitrophenyl)methanol is O=[N+]([O-])c1ccccc1C(O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphanyl-(2-nitrophenyl)methanol?
The InChIKey is WYAMOEZDQZJIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NO3P/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/h1-14,19,21H.
What are the key properties of diphenylphosphanyl-(2-nitrophenyl)methanol?
diphenylphosphanyl-(2-nitrophenyl)methanol has a molecular weight of 337.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl-(2-nitrophenyl)methanol is sourced from PubChem (CID 91174471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).