4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol

C13H7Cl2NO2 — CID 136658117

IUPAC4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol
SMILESOc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C13H7Cl2NO2/c14-8-5-10(15)12-11(6-8)16-13(18-12)7-1-3-9(17)4-2-7/h1-6,17H
InChIKeyMJWXTQANCKAWHA-UHFFFAOYSA-N
MW280.11 g/mol
LogP4.51
Rot. Bonds1

About 4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol

4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol (PubChem CID 136658117) has the molecular formula C13H7Cl2NO2 and a molecular weight of 280.11 g/mol. Its IUPAC name is 4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol
PubChem CID136658117
Molecular FormulaC13H7Cl2NO2
Molecular Weight280.11 g/mol
Exact Mass278.99
IUPAC Name4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol
SMILESOc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C13H7Cl2NO2/c14-8-5-10(15)12-11(6-8)16-13(18-12)7-1-3-9(17)4-2-7/h1-6,17H
InChIKeyMJWXTQANCKAWHA-UHFFFAOYSA-N
XLogP4.51
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol (CID 136658117) is 4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol is Oc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1.
What is the InChIKey of 4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol?
The InChIKey is MJWXTQANCKAWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO2/c14-8-5-10(15)12-11(6-8)16-13(18-12)7-1-3-9(17)4-2-7/h1-6,17H.
What are the key properties of 4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol?
4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol has a molecular weight of 280.11 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 136658117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).