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

C15H15NO3 — CID 89193854

IUPAC4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol
SMILESC=C(Nc1ccc(O)c(O)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C15H15NO3/c1-9-7-11(3-5-13(9)17)10(2)16-12-4-6-14(18)15(19)8-12/h3-8,16-19H,2H2,1H3
InChIKeyJJEPTYSVJQIFGF-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.19
Rot. Bonds3

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

4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol (PubChem CID 89193854) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol
PubChem CID89193854
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol
SMILESC=C(Nc1ccc(O)c(O)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C15H15NO3/c1-9-7-11(3-5-13(9)17)10(2)16-12-4-6-14(18)15(19)8-12/h3-8,16-19H,2H2,1H3
InChIKeyJJEPTYSVJQIFGF-UHFFFAOYSA-N
XLogP3.19
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide
CID 58240558
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
4-(4-hydroxy-3-methylanilino)-2-methylphenol
CID 67263150
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine
CID 145472266
N-(3-acetylphenyl)-4-hydroxy-3-methylbenzamide
CID 103955356
4-(3,5-dimethylanilino)-2-methylphenol
CID 166451978
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103890666
N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide
CID 103957007
CID 172763014
CID 172763014

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol?
The IUPAC name of 4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol (CID 89193854) is 4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol?
The canonical SMILES for 4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol is C=C(Nc1ccc(O)c(O)c1)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol?
The InChIKey is JJEPTYSVJQIFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-7-11(3-5-13(9)17)10(2)16-12-4-6-14(18)15(19)8-12/h3-8,16-19H,2H2,1H3.
What are the key properties of 4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol?
4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol has a molecular weight of 257.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol is sourced from PubChem (CID 89193854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).