2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol

C13H8ClNO3 — CID 135528624

IUPAC2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)ccc3o2)c(Cl)c1
InChIInChI=1S/C13H8ClNO3/c14-10-5-7(16)1-3-9(10)13-15-11-6-8(17)2-4-12(11)18-13/h1-6,16-17H
InChIKeyRDNJWPGDJWLTPJ-UHFFFAOYSA-N
MW261.66 g/mol
LogP3.56
Rot. Bonds1

About 2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol

2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 135528624) has the molecular formula C13H8ClNO3 and a molecular weight of 261.66 g/mol. Its IUPAC name is 2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID135528624
Molecular FormulaC13H8ClNO3
Molecular Weight261.66 g/mol
Exact Mass261.02
IUPAC Name2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)ccc3o2)c(Cl)c1
InChIInChI=1S/C13H8ClNO3/c14-10-5-7(16)1-3-9(10)13-15-11-6-8(17)2-4-12(11)18-13/h1-6,16-17H
InChIKeyRDNJWPGDJWLTPJ-UHFFFAOYSA-N
XLogP3.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 135528624) is 2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol is Oc1ccc(-c2nc3cc(O)ccc3o2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is RDNJWPGDJWLTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3/c14-10-5-7(16)1-3-9(10)13-15-11-6-8(17)2-4-12(11)18-13/h1-6,16-17H.
What are the key properties of 2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 261.66 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135528624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).