1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene

C20H25N3O4 — CID 167439814

IUPAC1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene
SMILESCOc1ccc(CCc2cc(OC)c(OC)cc2CCN=[N+]=[N-])cc1OC
InChIInChI=1S/C20H25N3O4/c1-24-17-8-6-14(11-18(17)25-2)5-7-15-12-19(26-3)20(27-4)13-16(15)9-10-22-23-21/h6,8,11-13H,5,7,9-10H2,1-4H3
InChIKeyOFCNBEABWCVBGF-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.36
Rot. Bonds10

About 1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene

1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene (PubChem CID 167439814) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene
PubChem CID167439814
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene
SMILESCOc1ccc(CCc2cc(OC)c(OC)cc2CCN=[N+]=[N-])cc1OC
InChIInChI=1S/C20H25N3O4/c1-24-17-8-6-14(11-18(17)25-2)5-7-15-12-19(26-3)20(27-4)13-16(15)9-10-22-23-21/h6,8,11-13H,5,7,9-10H2,1-4H3
InChIKeyOFCNBEABWCVBGF-UHFFFAOYSA-N
XLogP4.36
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(2-azidoethyl)-2-methoxyphenol;methane
CID 167709362
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol
CID 172870617
4-(3-azidobutyl)-1,2-dimethoxybenzene
CID 10561738
[4-(2-azidoethoxy)-3-methoxyphenyl]methanol
CID 20769149
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
[4-(3-azidopropoxy)-3-methoxyphenyl]methanol
CID 107744213
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870659
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
1-(2-azidoethyl)-2,3-dimethoxybenzene
CID 150478771
4-[2-(3,4-dimethoxyphenyl)ethyl]-6-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydroxyphenyl]benzene-1,3-diol
CID 172870583
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene (CID 167439814) is 1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene is COc1ccc(CCc2cc(OC)c(OC)cc2CCN=[N+]=[N-])cc1OC.
What is the InChIKey of 1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene?
The InChIKey is OFCNBEABWCVBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-24-17-8-6-14(11-18(17)25-2)5-7-15-12-19(26-3)20(27-4)13-16(15)9-10-22-23-21/h6,8,11-13H,5,7,9-10H2,1-4H3.
What are the key properties of 1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene?
1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene has a molecular weight of 371.44 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 167439814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).