3-(2-methylphenyl)-2,1-benzoxazol-6-ol

C14H11NO2 — CID 136699555

IUPAC3-(2-methylphenyl)-2,1-benzoxazol-6-ol
SMILESCc1ccccc1-c1onc2cc(O)ccc12
InChIInChI=1S/C14H11NO2/c1-9-4-2-3-5-11(9)14-12-7-6-10(16)8-13(12)15-17-14/h2-8,16H,1H3
InChIKeyMYGAQEKVICYLFG-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.51
Rot. Bonds1

About 3-(2-methylphenyl)-2,1-benzoxazol-6-ol

3-(2-methylphenyl)-2,1-benzoxazol-6-ol (PubChem CID 136699555) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2,1-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(2-methylphenyl)-2,1-benzoxazol-6-ol
PubChem CID136699555
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-(2-methylphenyl)-2,1-benzoxazol-6-ol
SMILESCc1ccccc1-c1onc2cc(O)ccc12
InChIInChI=1S/C14H11NO2/c1-9-4-2-3-5-11(9)14-12-7-6-10(16)8-13(12)15-17-14/h2-8,16H,1H3
InChIKeyMYGAQEKVICYLFG-UHFFFAOYSA-N
XLogP3.51
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2,1-benzoxazol-6-ol?
The IUPAC name of 3-(2-methylphenyl)-2,1-benzoxazol-6-ol (CID 136699555) is 3-(2-methylphenyl)-2,1-benzoxazol-6-ol.
What is the SMILES notation for 3-(2-methylphenyl)-2,1-benzoxazol-6-ol?
The canonical SMILES for 3-(2-methylphenyl)-2,1-benzoxazol-6-ol is Cc1ccccc1-c1onc2cc(O)ccc12.
What is the InChIKey of 3-(2-methylphenyl)-2,1-benzoxazol-6-ol?
The InChIKey is MYGAQEKVICYLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-9-4-2-3-5-11(9)14-12-7-6-10(16)8-13(12)15-17-14/h2-8,16H,1H3.
What are the key properties of 3-(2-methylphenyl)-2,1-benzoxazol-6-ol?
3-(2-methylphenyl)-2,1-benzoxazol-6-ol has a molecular weight of 225.25 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2,1-benzoxazol-6-ol is sourced from PubChem (CID 136699555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).