diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane

C18H22NO3P — CID 13103962

IUPACdiethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane
SMILESC=C(OP(=Nc1ccccc1)(OCC)OCC)c1ccccc1
InChIInChI=1S/C18H22NO3P/c1-4-20-23(21-5-2,19-18-14-10-7-11-15-18)22-16(3)17-12-8-6-9-13-17/h6-15H,3-5H2,1-2H3
InChIKeyACXJLGCRKIACCJ-UHFFFAOYSA-N
MW331.35 g/mol
LogP6.02
Rot. Bonds8

About diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane

diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane (PubChem CID 13103962) has the molecular formula C18H22NO3P and a molecular weight of 331.35 g/mol. Its IUPAC name is diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane
PubChem CID13103962
Molecular FormulaC18H22NO3P
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Namediethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane
SMILESC=C(OP(=Nc1ccccc1)(OCC)OCC)c1ccccc1
InChIInChI=1S/C18H22NO3P/c1-4-20-23(21-5-2,19-18-14-10-7-11-15-18)22-16(3)17-12-8-6-9-13-17/h6-15H,3-5H2,1-2H3
InChIKeyACXJLGCRKIACCJ-UHFFFAOYSA-N
XLogP6.02
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.35
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[1-[diethoxy(phenylimino)-lambda5-phosphanyl]oxyethylidene]propanedioate
CID 13110605
[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
CID 11324093
1-[diethoxy(phenylimino)-lambda5-phosphanyl]-N,1-diphenylmethanimine
CID 13407637
1-dimethylphosphoryloxyethenylbenzene
CID 12869457
sodium diethoxy-oxido-phenylimino-λ5-phosphane
CID 134873244
N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine
CID 23265155
N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine
CID 13103960
(2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane
CID 23264979
1-but-1-en-2-yloxyethenylbenzene
CID 147866453
ethoxyethane;1-phenylethenylbenzene
CID 69353422
ethyl 1-phenylethenyl carbonate
CID 10081285
1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene
CID 170659353

Frequently Asked Questions

What is the IUPAC name of diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane?
The IUPAC name of diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane (CID 13103962) is diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane.
What is the SMILES notation for diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane?
The canonical SMILES for diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane is C=C(OP(=Nc1ccccc1)(OCC)OCC)c1ccccc1.
What is the InChIKey of diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane?
The InChIKey is ACXJLGCRKIACCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO3P/c1-4-20-23(21-5-2,19-18-14-10-7-11-15-18)22-16(3)17-12-8-6-9-13-17/h6-15H,3-5H2,1-2H3.
What are the key properties of diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane?
diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane has a molecular weight of 331.35 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane is sourced from PubChem (CID 13103962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).