4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol

C15H15NO2 — CID 780515

IUPAC4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
SMILESCc1ccc(C)c(/N=C/c2ccc(O)c(O)c2)c1
InChIInChI=1S/C15H15NO2/c1-10-3-4-11(2)13(7-10)16-9-12-5-6-14(17)15(18)8-12/h3-9,17-18H,1-2H3/b16-9+
InChIKeyYIAAJTLWTPJLCE-CXUHLZMHSA-N
MW241.29 g/mol
LogP3.47
Rot. Bonds2

About 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol

4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol (PubChem CID 780515) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
PubChem CID780515
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
SMILESCc1ccc(C)c(/N=C/c2ccc(O)c(O)c2)c1
InChIInChI=1S/C15H15NO2/c1-10-3-4-11(2)13(7-10)16-9-12-5-6-14(17)15(18)8-12/h3-9,17-18H,1-2H3/b16-9+
InChIKeyYIAAJTLWTPJLCE-CXUHLZMHSA-N
XLogP3.47
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 620472
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337
5-methyl-2-[(4-methylphenyl)methylideneamino]phenol
CID 30224082
4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 693352
4-[(2,4-dimethylphenyl)iminomethyl]phenol
CID 137138686
4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol
CID 137100162
2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
CID 3639370
2-[(4-fluorophenyl)methylideneamino]-5-methylphenol
CID 11579513
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
[4-[(2,5-dimethylphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126220484
(2S)-2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
CID 126016677

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol?
The IUPAC name of 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol (CID 780515) is 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol is Cc1ccc(C)c(/N=C/c2ccc(O)c(O)c2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol?
The InChIKey is YIAAJTLWTPJLCE-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-3-4-11(2)13(7-10)16-9-12-5-6-14(17)15(18)8-12/h3-9,17-18H,1-2H3/b16-9+.
What are the key properties of 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol?
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol has a molecular weight of 241.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 780515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).