(2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane

C16H23ClNO3P — CID 23264979

IUPAC(2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane
SMILESCCOP(=Nc1ccccc1)(OCC)OC1=C(Cl)CCCC1
InChIInChI=1S/C16H23ClNO3P/c1-3-19-22(20-4-2,18-14-10-6-5-7-11-14)21-16-13-9-8-12-15(16)17/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3
InChIKeyZDSJTEPORQSEDY-UHFFFAOYSA-N
MW343.79 g/mol
LogP6.38
Rot. Bonds7

About (2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane

(2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane (PubChem CID 23264979) has the molecular formula C16H23ClNO3P and a molecular weight of 343.79 g/mol. Its IUPAC name is (2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane.

Molecular Properties

Compound Name(2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane
PubChem CID23264979
Molecular FormulaC16H23ClNO3P
Molecular Weight343.79 g/mol
Exact Mass343.11
IUPAC Name(2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane
SMILESCCOP(=Nc1ccccc1)(OCC)OC1=C(Cl)CCCC1
InChIInChI=1S/C16H23ClNO3P/c1-3-19-22(20-4-2,18-14-10-6-5-7-11-14)21-16-13-9-8-12-15(16)17/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3
InChIKeyZDSJTEPORQSEDY-UHFFFAOYSA-N
XLogP6.38
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.79
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane
CID 13103962
sodium diethoxy-oxido-phenylimino-λ5-phosphane
CID 134873244
N,N-bis[diethoxy(phenylimino)-λ5-phosphanyl]methanamine
CID 23265155
diethyl 2-[1-[diethoxy(phenylimino)-lambda5-phosphanyl]oxyethylidene]propanedioate
CID 13110605
1-[diethoxy(phenylimino)-lambda5-phosphanyl]-N,1-diphenylmethanimine
CID 13407637
N-[(2,2-dichloro-1-phenylethenoxy)-ethoxy-phenylimino-λ5-phosphanyl]-N-ethylethanamine
CID 13103960
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine
CID 23417708
(2-chlorocyclohexen-1-yl)benzene
CID 14737118
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane
CID 10048153
(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
CID 11141450

Frequently Asked Questions

What is the IUPAC name of (2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane?
The IUPAC name of (2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane (CID 23264979) is (2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane.
What is the SMILES notation for (2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane?
The canonical SMILES for (2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane is CCOP(=Nc1ccccc1)(OCC)OC1=C(Cl)CCCC1.
What is the InChIKey of (2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane?
The InChIKey is ZDSJTEPORQSEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClNO3P/c1-3-19-22(20-4-2,18-14-10-6-5-7-11-14)21-16-13-9-8-12-15(16)17/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of (2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane?
(2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane has a molecular weight of 343.79 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclohexen-1-yl)oxy-diethoxy-phenylimino-λ5-phosphane is sourced from PubChem (CID 23264979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).