2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol

C22H21N3O2 — CID 137266716

IUPAC2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol
SMILESCCc1ccc(/N=C/c2cc(/N=N/c3ccccc3)cc(OC)c2O)cc1
InChIInChI=1S/C22H21N3O2/c1-3-16-9-11-18(12-10-16)23-15-17-13-20(14-21(27-2)22(17)26)25-24-19-7-5-4-6-8-19/h4-15,26H,3H2,1-2H3/b23-15+,25-24+
InChIKeyJLHZRAKYUUPRFA-DPWLSMTKSA-N
MW359.43 g/mol
LogP6.13
Rot. Bonds6

About 2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol

2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol (PubChem CID 137266716) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol.

Molecular Properties

Compound Name2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol
PubChem CID137266716
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol
SMILESCCc1ccc(/N=C/c2cc(/N=N/c3ccccc3)cc(OC)c2O)cc1
InChIInChI=1S/C22H21N3O2/c1-3-16-9-11-18(12-10-16)23-15-17-13-20(14-21(27-2)22(17)26)25-24-19-7-5-4-6-8-19/h4-15,26H,3H2,1-2H3/b23-15+,25-24+
InChIKeyJLHZRAKYUUPRFA-DPWLSMTKSA-N
XLogP6.13
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-6-methoxy-4-phenyldiazenylphenol
CID 136879582
5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 139070161
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
1-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 136689084
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201
4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
CID 135799750
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 7326664
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol?
The IUPAC name of 2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol (CID 137266716) is 2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol.
What is the SMILES notation for 2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol?
The canonical SMILES for 2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol is CCc1ccc(/N=C/c2cc(/N=N/c3ccccc3)cc(OC)c2O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol?
The InChIKey is JLHZRAKYUUPRFA-DPWLSMTKSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-16-9-11-18(12-10-16)23-15-17-13-20(14-21(27-2)22(17)26)25-24-19-7-5-4-6-8-19/h4-15,26H,3H2,1-2H3/b23-15+,25-24+.
What are the key properties of 2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol?
2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol has a molecular weight of 359.43 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol is sourced from PubChem (CID 137266716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).