(2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene

C20H27N2O5P — CID 102531146

IUPAC(2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene
SMILESCCCOP(=O)(OCCC)c1cc(OC)ccc1/N=N/c1ccc(OC)cc1
InChIInChI=1S/C20H27N2O5P/c1-5-13-26-28(23,27-14-6-2)20-15-18(25-4)11-12-19(20)22-21-16-7-9-17(24-3)10-8-16/h7-12,15H,5-6,13-14H2,1-4H3/b22-21+
InChIKeyXDJFLUJOWMDGHZ-QURGRASLSA-N
MW406.42 g/mol
LogP5.79
Rot. Bonds11

About (2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene

(2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene (PubChem CID 102531146) has the molecular formula C20H27N2O5P and a molecular weight of 406.42 g/mol. Its IUPAC name is (2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name(2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene
PubChem CID102531146
Molecular FormulaC20H27N2O5P
Molecular Weight406.42 g/mol
Exact Mass406.17
IUPAC Name(2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene
SMILESCCCOP(=O)(OCCC)c1cc(OC)ccc1/N=N/c1ccc(OC)cc1
InChIInChI=1S/C20H27N2O5P/c1-5-13-26-28(23,27-14-6-2)20-15-18(25-4)11-12-19(20)22-21-16-7-9-17(24-3)10-8-16/h7-12,15H,5-6,13-14H2,1-4H3/b22-21+
InChIKeyXDJFLUJOWMDGHZ-QURGRASLSA-N
XLogP5.79
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diethoxyphosphoryl-4-methoxyaniline
CID 166610106
(3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene
CID 72713700
[4-[(4-methoxyphenyl)diazenyl]-3-methylphenyl] 4-octoxybenzoate
CID 102055157
(4-methoxyphenyl)-methyldiazene
CID 20589170
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene
CID 572351
4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide
CID 137270173
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
bis(2-[(4-methoxyphenyl)diazenyl]benzenethiolate);nickel(2+)
CID 171977429
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
CID 86177503

Frequently Asked Questions

What is the IUPAC name of (2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene?
The IUPAC name of (2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene (CID 102531146) is (2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene.
What is the SMILES notation for (2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene?
The canonical SMILES for (2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene is CCCOP(=O)(OCCC)c1cc(OC)ccc1/N=N/c1ccc(OC)cc1.
What is the InChIKey of (2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene?
The InChIKey is XDJFLUJOWMDGHZ-QURGRASLSA-N. The full InChI is InChI=1S/C20H27N2O5P/c1-5-13-26-28(23,27-14-6-2)20-15-18(25-4)11-12-19(20)22-21-16-7-9-17(24-3)10-8-16/h7-12,15H,5-6,13-14H2,1-4H3/b22-21+.
What are the key properties of (2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene?
(2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene has a molecular weight of 406.42 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dipropoxyphosphoryl-4-methoxyphenyl)-(4-methoxyphenyl)diazene is sourced from PubChem (CID 102531146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).