2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol

C15H12N2O4 — CID 136904028

IUPAC2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
SMILESCOc1cccc(-c2noc(-c3cc(O)ccc3O)n2)c1
InChIInChI=1S/C15H12N2O4/c1-20-11-4-2-3-9(7-11)14-16-15(21-17-14)12-8-10(18)5-6-13(12)19/h2-8,18-19H,1H3
InChIKeyBBQHZGOLGDZEGE-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.82
Rot. Bonds3

About 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol

2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol (PubChem CID 136904028) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
PubChem CID136904028
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
SMILESCOc1cccc(-c2noc(-c3cc(O)ccc3O)n2)c1
InChIInChI=1S/C15H12N2O4/c1-20-11-4-2-3-9(7-11)14-16-15(21-17-14)12-8-10(18)5-6-13(12)19/h2-8,18-19H,1H3
InChIKeyBBQHZGOLGDZEGE-UHFFFAOYSA-N
XLogP2.82
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885977
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
2-(3-methoxyphenyl)benzene-1,4-diol
CID 83534427
4-bromo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62072815
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
5-(2,4-dimethylpyrimidin-5-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 99821058
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 62876336
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 851433

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The IUPAC name of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol (CID 136904028) is 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol is COc1cccc(-c2noc(-c3cc(O)ccc3O)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The InChIKey is BBQHZGOLGDZEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-20-11-4-2-3-9(7-11)14-16-15(21-17-14)12-8-10(18)5-6-13(12)19/h2-8,18-19H,1H3.
What are the key properties of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol has a molecular weight of 284.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol is sourced from PubChem (CID 136904028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).