(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene

C16H15N3O — CID 2852535

IUPAC(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
SMILESCOc1ccc(/N=N/c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H15N3O/c1-11-16(14-5-3-4-6-15(14)17-11)19-18-12-7-9-13(20-2)10-8-12/h3-10,17H,1-2H3/b19-18+
InChIKeyGHCRKBVYLCRUMW-VHEBQXMUSA-N
MW265.32 g/mol
LogP4.90
Rot. Bonds3

About (4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene

(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene (PubChem CID 2852535) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
PubChem CID2852535
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
SMILESCOc1ccc(/N=N/c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H15N3O/c1-11-16(14-5-3-4-6-15(14)17-11)19-18-12-7-9-13(20-2)10-8-12/h3-10,17H,1-2H3/b19-18+
InChIKeyGHCRKBVYLCRUMW-VHEBQXMUSA-N
XLogP4.90
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene
CID 154723195
(4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene
CID 137148122
1H-indol-3-yl-(4-methoxyphenyl)diazene
CID 136732360
(2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 135851037
(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 154722811
(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
CID 136721271
(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
CID 137234432
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
CID 135645807
4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine
CID 134913471
2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol
CID 867421
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene?
The IUPAC name of (4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene (CID 2852535) is (4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene.
What is the SMILES notation for (4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene?
The canonical SMILES for (4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene is COc1ccc(/N=N/c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene?
The InChIKey is GHCRKBVYLCRUMW-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-16(14-5-3-4-6-15(14)17-11)19-18-12-7-9-13(20-2)10-8-12/h3-10,17H,1-2H3/b19-18+.
What are the key properties of (4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene?
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene has a molecular weight of 265.32 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene is sourced from PubChem (CID 2852535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).