2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol

C22H21N3O2 — CID 3284679

IUPAC2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol
SMILESCOc1cc(/C=N/c2ccc(C)c(/N=N/c3ccc(C)cc3)c2)ccc1O
InChIInChI=1S/C22H21N3O2/c1-15-4-8-18(9-5-15)24-25-20-13-19(10-6-16(20)2)23-14-17-7-11-21(26)22(12-17)27-3/h4-14,26H,1-3H3/b23-14+,25-24+
InChIKeyCSCSRGAUBCSAHH-NSXTUZQOSA-N
MW359.43 g/mol
LogP6.18
Rot. Bonds5

About 2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol

2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol (PubChem CID 3284679) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol
PubChem CID3284679
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol
SMILESCOc1cc(/C=N/c2ccc(C)c(/N=N/c3ccc(C)cc3)c2)ccc1O
InChIInChI=1S/C22H21N3O2/c1-15-4-8-18(9-5-15)24-25-20-13-19(10-6-16(20)2)23-14-17-7-11-21(26)22(12-17)27-3/h4-14,26H,1-3H3/b23-14+,25-24+
InChIKeyCSCSRGAUBCSAHH-NSXTUZQOSA-N
XLogP6.18
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.18
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

4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 620472
4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 693352
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 964993
4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
CID 681301
4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine
CID 139088925
2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 769823
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 137168706
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 780515
(1E,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4-[(4-methylphenyl)diazenyl]hepta-1,4,6-trien-3-one
CID 136798602
1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 832833
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol (CID 3284679) is 2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol is COc1cc(/C=N/c2ccc(C)c(/N=N/c3ccc(C)cc3)c2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol?
The InChIKey is CSCSRGAUBCSAHH-NSXTUZQOSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-4-8-18(9-5-15)24-25-20-13-19(10-6-16(20)2)23-14-17-7-11-21(26)22(12-17)27-3/h4-14,26H,1-3H3/b23-14+,25-24+.
What are the key properties of 2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol?
2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol has a molecular weight of 359.43 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 3284679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).