[2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate

C18H18N2O2 — CID 90778654

IUPAC[2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(C)cc(/N=N/c2ccc(C)cc2)cc1C
InChIInChI=1S/C18H18N2O2/c1-5-17(21)22-18-13(3)10-16(11-14(18)4)20-19-15-8-6-12(2)7-9-15/h5-11H,1H2,2-4H3/b20-19+
InChIKeyGYORVDKOVGFIPS-FMQUCBEESA-N
MW294.35 g/mol
LogP5.12
Rot. Bonds4

About [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate

[2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate (PubChem CID 90778654) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate
PubChem CID90778654
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(C)cc(/N=N/c2ccc(C)cc2)cc1C
InChIInChI=1S/C18H18N2O2/c1-5-17(21)22-18-13(3)10-16(11-14(18)4)20-19-15-8-6-12(2)7-9-15/h5-11H,1H2,2-4H3/b20-19+
InChIKeyGYORVDKOVGFIPS-FMQUCBEESA-N
XLogP5.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate with MolForge

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Related Compounds

[4-[[4-[bis(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl]-(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 163521211
(3-hydroxy-2-methyl-4-phenyldiazenylnaphthalen-1-yl) prop-2-enoate
CID 174479381
[4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate
CID 118402998
[4-[(3-tert-butyl-4-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 102097243
[4-[(3,4-dimethylphenyl)diazenyl]phenoxy]methyl prop-2-enoate
CID 166995939
(2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate
CID 163406495
(2-formyl-6-methylphenyl) prop-2-enoate
CID 89358403
4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
CID 136901382
(3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406680
(7-chloro-3-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406697
[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate
CID 138481562
[6-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]-(6-prop-2-enoyloxynaphthalen-2-yl)amino]naphthalen-2-yl] prop-2-enoate
CID 58520192

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate?
The IUPAC name of [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate (CID 90778654) is [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate?
The canonical SMILES for [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate is C=CC(=O)Oc1c(C)cc(/N=N/c2ccc(C)cc2)cc1C.
What is the InChIKey of [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate?
The InChIKey is GYORVDKOVGFIPS-FMQUCBEESA-N. The full InChI is InChI=1S/C18H18N2O2/c1-5-17(21)22-18-13(3)10-16(11-14(18)4)20-19-15-8-6-12(2)7-9-15/h5-11H,1H2,2-4H3/b20-19+.
What are the key properties of [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate?
[2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate has a molecular weight of 294.35 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 90778654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).