4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol

C14H8Cl2N2O3 — CID 1257317

IUPAC4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)o1
InChIInChI=1S/C14H8Cl2N2O3/c15-7-1-3-11(19)9(5-7)13-17-18-14(21-13)10-6-8(16)2-4-12(10)20/h1-6,19-20H
InChIKeyNPTKCEIYFKHSCV-UHFFFAOYSA-N
MW323.14 g/mol
LogP4.12
Rot. Bonds2

About 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol

4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 1257317) has the molecular formula C14H8Cl2N2O3 and a molecular weight of 323.14 g/mol. Its IUPAC name is 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID1257317
Molecular FormulaC14H8Cl2N2O3
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)o1
InChIInChI=1S/C14H8Cl2N2O3/c15-7-1-3-11(19)9(5-7)13-17-18-14(21-13)10-6-8(16)2-4-12(10)20/h1-6,19-20H
InChIKeyNPTKCEIYFKHSCV-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 1257317) is 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is Oc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)o1.
What is the InChIKey of 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is NPTKCEIYFKHSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O3/c15-7-1-3-11(19)9(5-7)13-17-18-14(21-13)10-6-8(16)2-4-12(10)20/h1-6,19-20H.
What are the key properties of 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol 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 4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 1257317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).