2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol

C14H11NO3 — CID 135830958

IUPAC2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol
SMILESCc1cc(O)cc2oc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C14H11NO3/c1-8-6-11(17)7-12-13(8)15-14(18-12)9-2-4-10(16)5-3-9/h2-7,16-17H,1H3
InChIKeyXETRTXOAUZAJCL-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.21
Rot. Bonds1

About 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol

2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol (PubChem CID 135830958) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol
PubChem CID135830958
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol
SMILESCc1cc(O)cc2oc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C14H11NO3/c1-8-6-11(17)7-12-13(8)15-14(18-12)9-2-4-10(16)5-3-9/h2-7,16-17H,1H3
InChIKeyXETRTXOAUZAJCL-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

Analyze 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol
CID 135830961
4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 82231763
2-(4-chlorophenyl)-4-methyl-1,3-benzoxazole-6-carboxylic acid
CID 172815570
4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol
CID 135958578
6-methoxy-4-methyl-2-phenyl-1,3-benzoxazole
CID 135041622
5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 94979329
4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole
CID 163632646
4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol
CID 174517868
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135830954
2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol
CID 25211972

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol (CID 135830958) is 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol is Cc1cc(O)cc2oc(-c3ccc(O)cc3)nc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol?
The InChIKey is XETRTXOAUZAJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-8-6-11(17)7-12-13(8)15-14(18-12)9-2-4-10(16)5-3-9/h2-7,16-17H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol?
2-(4-hydroxyphenyl)-4-methyl-1,3-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 2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol is sourced from PubChem (CID 135830958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).