diethyl-(4-nitronaphthalen-1-yl)phosphane

C14H16NO2P — CID 150138006

IUPACdiethyl-(4-nitronaphthalen-1-yl)phosphane
SMILESCCP(CC)c1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C14H16NO2P/c1-3-18(4-2)14-10-9-13(15(16)17)11-7-5-6-8-12(11)14/h5-10H,3-4H2,1-2H3
InChIKeyFCQXAEJFQWIIJD-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.89
Rot. Bonds4

About diethyl-(4-nitronaphthalen-1-yl)phosphane

diethyl-(4-nitronaphthalen-1-yl)phosphane (PubChem CID 150138006) has the molecular formula C14H16NO2P and a molecular weight of 261.26 g/mol. Its IUPAC name is diethyl-(4-nitronaphthalen-1-yl)phosphane.

Molecular Properties

Compound Namediethyl-(4-nitronaphthalen-1-yl)phosphane
PubChem CID150138006
Molecular FormulaC14H16NO2P
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Namediethyl-(4-nitronaphthalen-1-yl)phosphane
SMILESCCP(CC)c1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C14H16NO2P/c1-3-18(4-2)14-10-9-13(15(16)17)11-7-5-6-8-12(11)14/h5-10H,3-4H2,1-2H3
InChIKeyFCQXAEJFQWIIJD-UHFFFAOYSA-N
XLogP3.89
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of diethyl-(4-nitronaphthalen-1-yl)phosphane?
The IUPAC name of diethyl-(4-nitronaphthalen-1-yl)phosphane (CID 150138006) is diethyl-(4-nitronaphthalen-1-yl)phosphane.
What is the SMILES notation for diethyl-(4-nitronaphthalen-1-yl)phosphane?
The canonical SMILES for diethyl-(4-nitronaphthalen-1-yl)phosphane is CCP(CC)c1ccc([N+](=O)[O-])c2ccccc12.
What is the InChIKey of diethyl-(4-nitronaphthalen-1-yl)phosphane?
The InChIKey is FCQXAEJFQWIIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO2P/c1-3-18(4-2)14-10-9-13(15(16)17)11-7-5-6-8-12(11)14/h5-10H,3-4H2,1-2H3.
What are the key properties of diethyl-(4-nitronaphthalen-1-yl)phosphane?
diethyl-(4-nitronaphthalen-1-yl)phosphane has a molecular weight of 261.26 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-nitronaphthalen-1-yl)phosphane is sourced from PubChem (CID 150138006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).