(3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene

C17H20N2O3 — CID 72713700

IUPAC(3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene
SMILESCCCOc1ccc(OC)cc1/N=N/c1cccc(OC)c1
InChIInChI=1S/C17H20N2O3/c1-4-10-22-17-9-8-15(21-3)12-16(17)19-18-13-6-5-7-14(11-13)20-2/h5-9,11-12H,4,10H2,1-3H3/b19-18+
InChIKeyRBOREPBPDQRZFJ-VHEBQXMUSA-N
MW300.36 g/mol
LogP4.91
Rot. Bonds7

About (3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene

(3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene (PubChem CID 72713700) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene.

Molecular Properties

Compound Name(3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene
PubChem CID72713700
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene
SMILESCCCOc1ccc(OC)cc1/N=N/c1cccc(OC)c1
InChIInChI=1S/C17H20N2O3/c1-4-10-22-17-9-8-15(21-3)12-16(17)19-18-13-6-5-7-14(11-13)20-2/h5-9,11-12H,4,10H2,1-3H3/b19-18+
InChIKeyRBOREPBPDQRZFJ-VHEBQXMUSA-N
XLogP4.91
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 161131960
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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene?
The IUPAC name of (3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene (CID 72713700) is (3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene.
What is the SMILES notation for (3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene?
The canonical SMILES for (3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene is CCCOc1ccc(OC)cc1/N=N/c1cccc(OC)c1.
What is the InChIKey of (3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene?
The InChIKey is RBOREPBPDQRZFJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-10-22-17-9-8-15(21-3)12-16(17)19-18-13-6-5-7-14(11-13)20-2/h5-9,11-12H,4,10H2,1-3H3/b19-18+.
What are the key properties of (3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene?
(3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene has a molecular weight of 300.36 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene is sourced from PubChem (CID 72713700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).