3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene

C16H16N2O — CID 134857229

IUPAC3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene
SMILESC=C(Cc1ccc(OC)cc1)/N=N/c1ccccc1
InChIInChI=1S/C16H16N2O/c1-13(17-18-15-6-4-3-5-7-15)12-14-8-10-16(19-2)11-9-14/h3-11H,1,12H2,2H3/b18-17+
InChIKeyWJHPUSHPABIIAU-ISLYRVAYSA-N
MW252.32 g/mol
LogP4.54
Rot. Bonds5

About 3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene

3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene (PubChem CID 134857229) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene.

Molecular Properties

Compound Name3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene
PubChem CID134857229
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene
SMILESC=C(Cc1ccc(OC)cc1)/N=N/c1ccccc1
InChIInChI=1S/C16H16N2O/c1-13(17-18-15-6-4-3-5-7-15)12-14-8-10-16(19-2)11-9-14/h3-11H,1,12H2,2H3/b18-17+
InChIKeyWJHPUSHPABIIAU-ISLYRVAYSA-N
XLogP4.54
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
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

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 3557006
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide
CID 525856
N-[(4-methoxyphenyl)methyl]-1-phenoxyethenamine
CID 166706398
(E)-3-hydroxy-1-(4-methoxyphenyl)-2-phenyldiazenylprop-2-en-1-one
CID 135550150
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
[[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide
CID 142763484

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene?
The IUPAC name of 3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene (CID 134857229) is 3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene.
What is the SMILES notation for 3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene?
The canonical SMILES for 3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene is C=C(Cc1ccc(OC)cc1)/N=N/c1ccccc1.
What is the InChIKey of 3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene?
The InChIKey is WJHPUSHPABIIAU-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-13(17-18-15-6-4-3-5-7-15)12-14-8-10-16(19-2)11-9-14/h3-11H,1,12H2,2H3/b18-17+.
What are the key properties of 3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene?
3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene has a molecular weight of 252.32 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene is sourced from PubChem (CID 134857229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).