1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene

C25H20NO4P — CID 19587731

IUPAC1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccc(COc2ccccc2P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20NO4P/c27-26(28)21-17-15-20(16-18-21)19-30-24-13-7-8-14-25(24)31(29,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18H,19H2
InChIKeyWAILOBCPOPDTLH-UHFFFAOYSA-N
MW429.41 g/mol
LogP4.81
Rot. Bonds7

About 1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene

1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene (PubChem CID 19587731) has the molecular formula C25H20NO4P and a molecular weight of 429.41 g/mol. Its IUPAC name is 1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene
PubChem CID19587731
Molecular FormulaC25H20NO4P
Molecular Weight429.41 g/mol
Exact Mass429.11
IUPAC Name1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccc(COc2ccccc2P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20NO4P/c27-26(28)21-17-15-20(16-18-21)19-30-24-13-7-8-14-25(24)31(29,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18H,19H2
InChIKeyWAILOBCPOPDTLH-UHFFFAOYSA-N
XLogP4.81
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.81
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-[(4-nitrophenyl)methoxy]benzene
CID 24703938
3-[(4-nitrophenyl)methoxy]benzene-1,2-diol
CID 139940676
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene
CID 60627375
N-[[2-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126118215
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
(NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898170
N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide
CID 175248720
(4-nitrophenyl)methyl-phenylphosphinic acid
CID 10446198
1-chloro-2-(chloromethyl)-3-[(4-nitrophenyl)methoxy]benzene
CID 114320815
2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 71950825
2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid
CID 1002786

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene?
The IUPAC name of 1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene (CID 19587731) is 1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene?
The canonical SMILES for 1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene is O=[N+]([O-])c1ccc(COc2ccccc2P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene?
The InChIKey is WAILOBCPOPDTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20NO4P/c27-26(28)21-17-15-20(16-18-21)19-30-24-13-7-8-14-25(24)31(29,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18H,19H2.
What are the key properties of 1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene?
1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene has a molecular weight of 429.41 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 19587731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).