2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium

C95H92N12O16+6 — CID 161196536

IUPAC2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium
SMILESCCOc1ccc([N+]#N)c(OCC)c1.COc1cc(OC)c([N+]#N)c(OCc2ccccc2)c1.COc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1[N+]#N.COc1cc(Oc2ccccc2)cc(OC)c1[N+]#N.COc1ccc([N+]#N)c(OC)c1.N#[N+]c1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C27H23N2O3.C21H19N2O3.C15H15N2O3.C14H13N2O3.C10H13N2O2.C8H9N2O2/c28-29-27-25(31-19-22-12-6-2-7-13-22)16-24(30-18-21-10-4-1-5-11-21)17-26(27)32-20-23-14-8-3-9-15-23;1-24-19-12-18(25-14-16-8-4-2-5-9-16)13-20(21(19)23-22)26-15-17-10-6-3-7-11-17;1-18-12-8-13(19-2)15(17-16)14(9-12)20-10-11-6-4-3-5-7-11;1-17-12-8-11(9-13(18-2)14(12)16-15)19-10-6-4-3-5-7-10;1-3-13-8-5-6-9(12-11)10(7-8)14-4-2;1-11-6-3-4-7(10-9)8(5-6)12-2/h1-17H,18-20H2;2-13H,14-15H2,1H3;3-9H,10H2,1-2H3;3-9H,1-2H3;5-7H,3-4H2,1-2H3;3-5H,1-2H3/q6*+1
InChIKeyUUKNBYWVSCBFJG-UHFFFAOYSA-N
MW1657.85 g/mol
LogP25.15
Rot. Bonds31

About 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium

2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium (PubChem CID 161196536) has the molecular formula C95H92N12O16+6 and a molecular weight of 1657.85 g/mol. Its IUPAC name is 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium.

Molecular Properties

Compound Name2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium
PubChem CID161196536
Molecular FormulaC95H92N12O16+6
Molecular Weight1657.85 g/mol
Exact Mass1656.67
IUPAC Name2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium
SMILESCCOc1ccc([N+]#N)c(OCC)c1.COc1cc(OC)c([N+]#N)c(OCc2ccccc2)c1.COc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1[N+]#N.COc1cc(Oc2ccccc2)cc(OC)c1[N+]#N.COc1ccc([N+]#N)c(OC)c1.N#[N+]c1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C27H23N2O3.C21H19N2O3.C15H15N2O3.C14H13N2O3.C10H13N2O2.C8H9N2O2/c28-29-27-25(31-19-22-12-6-2-7-13-22)16-24(30-18-21-10-4-1-5-11-21)17-26(27)32-20-23-14-8-3-9-15-23;1-24-19-12-18(25-14-16-8-4-2-5-9-16)13-20(21(19)23-22)26-15-17-10-6-3-7-11-17;1-18-12-8-13(19-2)15(17-16)14(9-12)20-10-11-6-4-3-5-7-11;1-17-12-8-11(9-13(18-2)14(12)16-15)19-10-6-4-3-5-7-10;1-3-13-8-5-6-9(12-11)10(7-8)14-4-2;1-11-6-3-4-7(10-9)8(5-6)12-2/h1-17H,18-20H2;2-13H,14-15H2,1H3;3-9H,10H2,1-2H3;3-9H,1-2H3;5-7H,3-4H2,1-2H3;3-5H,1-2H3/q6*+1
InChIKeyUUKNBYWVSCBFJG-UHFFFAOYSA-N
XLogP25.15
TPSA316.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.85
LogP ≤ 525.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium?
The IUPAC name of 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium (CID 161196536) is 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium.
What is the SMILES notation for 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium?
The canonical SMILES for 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium is CCOc1ccc([N+]#N)c(OCC)c1.COc1cc(OC)c([N+]#N)c(OCc2ccccc2)c1.COc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1[N+]#N.COc1cc(Oc2ccccc2)cc(OC)c1[N+]#N.COc1ccc([N+]#N)c(OC)c1.N#[N+]c1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium?
The InChIKey is UUKNBYWVSCBFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N2O3.C21H19N2O3.C15H15N2O3.C14H13N2O3.C10H13N2O2.C8H9N2O2/c28-29-27-25(31-19-22-12-6-2-7-13-22)16-24(30-18-21-10-4-1-5-11-21)17-26(27)32-20-23-14-8-3-9-15-23;1-24-19-12-18(25-14-16-8-4-2-5-9-16)13-20(21(19)23-22)26-15-17-10-6-3-7-11-17;1-18-12-8-13(19-2)15(17-16)14(9-12)20-10-11-6-4-3-5-7-11;1-17-12-8-11(9-13(18-2)14(12)16-15)19-10-6-4-3-5-7-10;1-3-13-8-5-6-9(12-11)10(7-8)14-4-2;1-11-6-3-4-7(10-9)8(5-6)12-2/h1-17H,18-20H2;2-13H,14-15H2,1H3;3-9H,10H2,1-2H3;3-9H,1-2H3;5-7H,3-4H2,1-2H3;3-5H,1-2H3/q6*+1.
What are the key properties of 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium?
2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium has a molecular weight of 1657.85 g/mol, XLogP of 25.15, 31 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxybenzenediazonium;2,4-dimethoxybenzenediazonium;2,6-dimethoxy-4-phenoxybenzenediazonium;2,4-dimethoxy-6-phenylmethoxybenzenediazonium;2-methoxy-4,6-bis(phenylmethoxy)benzenediazonium;2,4,6-tris(phenylmethoxy)benzenediazonium is sourced from PubChem (CID 161196536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).