4-(6-methyl-1,3-benzoxazol-2-yl)phenol

C14H11NO2 — CID 834576

IUPAC4-(6-methyl-1,3-benzoxazol-2-yl)phenol
SMILESCc1ccc2nc(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C14H11NO2/c1-9-2-7-12-13(8-9)17-14(15-12)10-3-5-11(16)6-4-10/h2-8,16H,1H3
InChIKeyHUJRWWKCYFJKQU-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.51
Rot. Bonds1

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

4-(6-methyl-1,3-benzoxazol-2-yl)phenol (PubChem CID 834576) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(6-methyl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-(6-methyl-1,3-benzoxazol-2-yl)phenol
PubChem CID834576
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name4-(6-methyl-1,3-benzoxazol-2-yl)phenol
SMILESCc1ccc2nc(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C14H11NO2/c1-9-2-7-12-13(8-9)17-14(15-12)10-3-5-11(16)6-4-10/h2-8,16H,1H3
InChIKeyHUJRWWKCYFJKQU-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 4-(6-methyl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 4-(6-methyl-1,3-benzoxazol-2-yl)phenol (CID 834576) is 4-(6-methyl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-(6-methyl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 4-(6-methyl-1,3-benzoxazol-2-yl)phenol is Cc1ccc2nc(-c3ccc(O)cc3)oc2c1.
What is the InChIKey of 4-(6-methyl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is HUJRWWKCYFJKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-9-2-7-12-13(8-9)17-14(15-12)10-3-5-11(16)6-4-10/h2-8,16H,1H3.
What are the key properties of 4-(6-methyl-1,3-benzoxazol-2-yl)phenol?
4-(6-methyl-1,3-benzoxazol-2-yl)phenol 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 4-(6-methyl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 834576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).