3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol

C14H11NO3 — CID 135438141

IUPAC3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol
SMILESCc1cc(O)ccc1-c1noc2cc(O)ccc12
InChIInChI=1S/C14H11NO3/c1-8-6-9(16)2-4-11(8)14-12-5-3-10(17)7-13(12)18-15-14/h2-7,16-17H,1H3
InChIKeyYDXZMUYZJVNAOG-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.21
Rot. Bonds1

About 3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol

3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol (PubChem CID 135438141) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol
PubChem CID135438141
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol
SMILESCc1cc(O)ccc1-c1noc2cc(O)ccc12
InChIInChI=1S/C14H11NO3/c1-8-6-9(16)2-4-11(8)14-12-5-3-10(17)7-13(12)18-15-14/h2-7,16-17H,1H3
InChIKeyYDXZMUYZJVNAOG-UHFFFAOYSA-N
XLogP3.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol (CID 135438141) is 3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol is Cc1cc(O)ccc1-c1noc2cc(O)ccc12.
What is the InChIKey of 3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol?
The InChIKey is YDXZMUYZJVNAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-8-6-9(16)2-4-11(8)14-12-5-3-10(17)7-13(12)18-15-14/h2-7,16-17H,1H3.
What are the key properties of 3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol?
3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol has a molecular weight of 241.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-methylphenyl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 135438141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).