4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol

C20H17N3O3 — CID 135771816

IUPAC4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol
SMILESCOc1ccc(/C=N/c2cc(O)ccc2/N=N/c2cccc(O)c2)cc1
InChIInChI=1S/C20H17N3O3/c1-26-18-8-5-14(6-9-18)13-21-20-12-17(25)7-10-19(20)23-22-15-3-2-4-16(24)11-15/h2-13,24-25H,1H3/b21-13+,23-22+
InChIKeyFZLIPRZTCSPQJL-LAMRRIJQSA-N
MW347.37 g/mol
LogP5.27
Rot. Bonds5

About 4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol

4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol (PubChem CID 135771816) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol
PubChem CID135771816
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol
SMILESCOc1ccc(/C=N/c2cc(O)ccc2/N=N/c2cccc(O)c2)cc1
InChIInChI=1S/C20H17N3O3/c1-26-18-8-5-14(6-9-18)13-21-20-12-17(25)7-10-19(20)23-22-15-3-2-4-16(24)11-15/h2-13,24-25H,1H3/b21-13+,23-22+
InChIKeyFZLIPRZTCSPQJL-LAMRRIJQSA-N
XLogP5.27
TPSA86.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol
CID 3055484
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 780574
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
propan-2-yl 2-[4-[(3-hydroxyphenyl)iminomethyl]phenoxy]acetate
CID 126195598
1-(4-methoxyphenyl)-N-[2-[2-[2-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 71317432
2-(benzylideneamino)benzene-1,4-diol
CID 23329258
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol
CID 137230625
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)methanimine
CID 91664646

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol?
The IUPAC name of 4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol (CID 135771816) is 4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol.
What is the SMILES notation for 4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol?
The canonical SMILES for 4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol is COc1ccc(/C=N/c2cc(O)ccc2/N=N/c2cccc(O)c2)cc1.
What is the InChIKey of 4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol?
The InChIKey is FZLIPRZTCSPQJL-LAMRRIJQSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-26-18-8-5-14(6-9-18)13-21-20-12-17(25)7-10-19(20)23-22-15-3-2-4-16(24)11-15/h2-13,24-25H,1H3/b21-13+,23-22+.
What are the key properties of 4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol?
4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol has a molecular weight of 347.37 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol is sourced from PubChem (CID 135771816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).