azanylidyne-phenoxy-propoxy-λ5-phosphane

C9H12NO2P — CID 19862340

IUPACazanylidyne-phenoxy-propoxy-λ5-phosphane
SMILESCCCOP(#N)Oc1ccccc1
InChIInChI=1S/C9H12NO2P/c1-2-8-11-13(10)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyQIBCQWXFLCGPMU-UHFFFAOYSA-N
MW197.17 g/mol
LogP3.28
Rot. Bonds3

About azanylidyne-phenoxy-propoxy-λ5-phosphane

azanylidyne-phenoxy-propoxy-λ5-phosphane (PubChem CID 19862340) has the molecular formula C9H12NO2P and a molecular weight of 197.17 g/mol. Its IUPAC name is azanylidyne-phenoxy-propoxy-λ5-phosphane.

Molecular Properties

Compound Nameazanylidyne-phenoxy-propoxy-λ5-phosphane
PubChem CID19862340
Molecular FormulaC9H12NO2P
Molecular Weight197.17 g/mol
Exact Mass197.06
IUPAC Nameazanylidyne-phenoxy-propoxy-λ5-phosphane
SMILESCCCOP(#N)Oc1ccccc1
InChIInChI=1S/C9H12NO2P/c1-2-8-11-13(10)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyQIBCQWXFLCGPMU-UHFFFAOYSA-N
XLogP3.28
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;propoxybenzene
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CID 161224902
CID 161224902
propylperoxybenzene
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dibutyl(phenoxy)phosphane
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diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
ethoxybenzene;propoxybenzene
CID 67747691
diphenyl hydrogen phosphite;ethanol
CID 159674253
di(pentan-2-yl)-phenoxyphosphane
CID 71101650
butyl-chloro-phenoxyphosphane
CID 88778201
diphenoxyphosphanyloxymethyl diphenyl phosphite
CID 171611986
magnesium;ethane;propoxybenzene;bromide
CID 175337245

Frequently Asked Questions

What is the IUPAC name of azanylidyne-phenoxy-propoxy-λ5-phosphane?
The IUPAC name of azanylidyne-phenoxy-propoxy-λ5-phosphane (CID 19862340) is azanylidyne-phenoxy-propoxy-λ5-phosphane.
What is the SMILES notation for azanylidyne-phenoxy-propoxy-λ5-phosphane?
The canonical SMILES for azanylidyne-phenoxy-propoxy-λ5-phosphane is CCCOP(#N)Oc1ccccc1.
What is the InChIKey of azanylidyne-phenoxy-propoxy-λ5-phosphane?
The InChIKey is QIBCQWXFLCGPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO2P/c1-2-8-11-13(10)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of azanylidyne-phenoxy-propoxy-λ5-phosphane?
azanylidyne-phenoxy-propoxy-λ5-phosphane has a molecular weight of 197.17 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyne-phenoxy-propoxy-λ5-phosphane is sourced from PubChem (CID 19862340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).