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

C14H8Cl2N2O3 — CID 136904204

IUPAC2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1
InChIInChI=1S/C14H8Cl2N2O3/c15-10-3-1-7(5-11(10)16)13-17-14(21-18-13)9-6-8(19)2-4-12(9)20/h1-6,19-20H
InChIKeyGKADRAKDZFWWAY-UHFFFAOYSA-N
MW323.14 g/mol
LogP4.12
Rot. Bonds2

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

2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol (PubChem CID 136904204) has the molecular formula C14H8Cl2N2O3 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
PubChem CID136904204
Molecular FormulaC14H8Cl2N2O3
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1
InChIInChI=1S/C14H8Cl2N2O3/c15-10-3-1-7(5-11(10)16)13-17-14(21-18-13)9-6-8(19)2-4-12(9)20/h1-6,19-20H
InChIKeyGKADRAKDZFWWAY-UHFFFAOYSA-N
XLogP4.12
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 136920369
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888720
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928478
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol (CID 136904204) is 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol is Oc1ccc(O)c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The InChIKey is GKADRAKDZFWWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O3/c15-10-3-1-7(5-11(10)16)13-17-14(21-18-13)9-6-8(19)2-4-12(9)20/h1-6,19-20H.
What are the key properties of 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol has a molecular weight of 323.14 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol is sourced from PubChem (CID 136904204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).