(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene

C16H17FN2O4 — CID 118484582

IUPAC(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1F
InChIInChI=1S/C16H17FN2O4/c1-20-13-6-5-10(7-12(13)17)18-19-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3/b19-18+
InChIKeyQSSAYCVDXRQACT-VHEBQXMUSA-N
MW320.32 g/mol
LogP4.28
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene

(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene (PubChem CID 118484582) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene
PubChem CID118484582
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1F
InChIInChI=1S/C16H17FN2O4/c1-20-13-6-5-10(7-12(13)17)18-19-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3/b19-18+
InChIKeyQSSAYCVDXRQACT-VHEBQXMUSA-N
XLogP4.28
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene (CID 118484582) is (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene is COc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene?
The InChIKey is QSSAYCVDXRQACT-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-20-13-6-5-10(7-12(13)17)18-19-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3/b19-18+.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene?
(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene has a molecular weight of 320.32 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene is sourced from PubChem (CID 118484582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).