dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane

C7H8NO5PS — CID 57011547

IUPACdihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane
SMILESO=[N+]([O-])c1ccc(COP(O)(O)=S)cc1
InChIInChI=1S/C7H8NO5PS/c9-8(10)7-3-1-6(2-4-7)5-13-14(11,12)15/h1-4H,5H2,(H2,11,12,15)
InChIKeyNWPFSGPBPUGEAT-UHFFFAOYSA-N
MW249.18 g/mol
LogP1.32
Rot. Bonds4

About dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane

dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane (PubChem CID 57011547) has the molecular formula C7H8NO5PS and a molecular weight of 249.18 g/mol. Its IUPAC name is dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane
PubChem CID57011547
Molecular FormulaC7H8NO5PS
Molecular Weight249.18 g/mol
Exact Mass248.99
IUPAC Namedihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane
SMILESO=[N+]([O-])c1ccc(COP(O)(O)=S)cc1
InChIInChI=1S/C7H8NO5PS/c9-8(10)7-3-1-6(2-4-7)5-13-14(11,12)15/h1-4H,5H2,(H2,11,12,15)
InChIKeyNWPFSGPBPUGEAT-UHFFFAOYSA-N
XLogP1.32
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
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

methyl bis[(4-nitrophenyl)methoxy]phosphorylformate
CID 15680413
(4-nitrophenyl)methoxyboronic acid
CID 11116985
bis[2-(4-nitrophenyl)ethyl] hydrogen phosphate
CID 11294928
N-[amino-[(4-nitrophenyl)methoxy]phosphoryl]-N-methylethanamine
CID 71137275
1-nitro-4-(phosphorosooxymethyl)benzene
CID 58371231
hydroxy-[(4-nitrophenyl)methyl]phosphinate
CID 39843016
N-[[diethylamino-[(4-nitrophenyl)methoxy]phosphoryl]methyl-[(4-nitrophenyl)methoxy]phosphoryl]-N-ethylethanamine
CID 88888642
bis[(4-nitrophenyl)methyl] (2R,3R)-2,3-dihydroxybutanedioate
CID 10432242
carbonotrithioic acid;(4-nitrophenyl)methyl hydrogen carbonate
CID 174801367
(4-nitrophenyl)methyl N-[(4-nitrophenyl)methyl]carbamate
CID 158564430
hydrazinyl (4-nitrophenyl)methyl carbonate
CID 54150427
dibenzyl 2-(4-nitrophenyl)ethyl phosphate
CID 141046350

Frequently Asked Questions

What is the IUPAC name of dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane (CID 57011547) is dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane is O=[N+]([O-])c1ccc(COP(O)(O)=S)cc1.
What is the InChIKey of dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane?
The InChIKey is NWPFSGPBPUGEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO5PS/c9-8(10)7-3-1-6(2-4-7)5-13-14(11,12)15/h1-4H,5H2,(H2,11,12,15).
What are the key properties of dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane?
dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane has a molecular weight of 249.18 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 57011547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).