2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol

C14H13NO2 — CID 173347602

IUPAC2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol
SMILESCc1cccc(/N=C/c2cc(O)ccc2O)c1
InChIInChI=1S/C14H13NO2/c1-10-3-2-4-12(7-10)15-9-11-8-13(16)5-6-14(11)17/h2-9,16-17H,1H3/b15-9+
InChIKeyWLHLXALCWGOJOL-OQLLNIDSSA-N
MW227.26 g/mol
LogP3.16
Rot. Bonds2

About 2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol

2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol (PubChem CID 173347602) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol
PubChem CID173347602
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol
SMILESCc1cccc(/N=C/c2cc(O)ccc2O)c1
InChIInChI=1S/C14H13NO2/c1-10-3-2-4-12(7-10)15-9-11-8-13(16)5-6-14(11)17/h2-9,16-17H,1H3/b15-9+
InChIKeyWLHLXALCWGOJOL-OQLLNIDSSA-N
XLogP3.16
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
2-[(3,5-ditert-butylphenyl)iminomethyl]benzene-1,4-diol
CID 136802639
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135546379
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[(E)-hydroxyiminomethyl]benzene-1,4-diol
CID 135483979
4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol
CID 135657383
8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid
CID 10755862
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
N'-(3-methylphenyl)methanimidamide
CID 55300494
phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate
CID 135492530
2-(3H-benzimidazol-5-yliminomethyl)-4-methylphenol
CID 135988522

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol?
The IUPAC name of 2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol (CID 173347602) is 2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol?
The canonical SMILES for 2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol is Cc1cccc(/N=C/c2cc(O)ccc2O)c1.
What is the InChIKey of 2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol?
The InChIKey is WLHLXALCWGOJOL-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-3-2-4-12(7-10)15-9-11-8-13(16)5-6-14(11)17/h2-9,16-17H,1H3/b15-9+.
What are the key properties of 2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol?
2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol has a molecular weight of 227.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol is sourced from PubChem (CID 173347602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).