4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol

C15H13NO2 — CID 135566325

IUPAC4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol
SMILESCc1cc(-c2nc3ccccc3o2)cc(C)c1O
InChIInChI=1S/C15H13NO2/c1-9-7-11(8-10(2)14(9)17)15-16-12-5-3-4-6-13(12)18-15/h3-8,17H,1-2H3
InChIKeyNORYHCMDDBZXDX-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.82
Rot. Bonds1

About 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol

4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol (PubChem CID 135566325) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol
PubChem CID135566325
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol
SMILESCc1cc(-c2nc3ccccc3o2)cc(C)c1O
InChIInChI=1S/C15H13NO2/c1-9-7-11(8-10(2)14(9)17)15-16-12-5-3-4-6-13(12)18-15/h3-8,17H,1-2H3
InChIKeyNORYHCMDDBZXDX-UHFFFAOYSA-N
XLogP3.82
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol (CID 135566325) is 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol is Cc1cc(-c2nc3ccccc3o2)cc(C)c1O.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol?
The InChIKey is NORYHCMDDBZXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-9-7-11(8-10(2)14(9)17)15-16-12-5-3-4-6-13(12)18-15/h3-8,17H,1-2H3.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol?
4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol has a molecular weight of 239.27 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol is sourced from PubChem (CID 135566325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).