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

C14H11NO3 — CID 135492323

IUPAC3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol
SMILESCc1cc(-c2noc3cc(O)ccc23)ccc1O
InChIInChI=1S/C14H11NO3/c1-8-6-9(2-5-12(8)17)14-11-4-3-10(16)7-13(11)18-15-14/h2-7,16-17H,1H3
InChIKeyOQEKDDUAVUDQDZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.21
Rot. Bonds1

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

3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol (PubChem CID 135492323) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol
PubChem CID135492323
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol
SMILESCc1cc(-c2noc3cc(O)ccc23)ccc1O
InChIInChI=1S/C14H11NO3/c1-8-6-9(2-5-12(8)17)14-11-4-3-10(16)7-13(11)18-15-14/h2-7,16-17H,1H3
InChIKeyOQEKDDUAVUDQDZ-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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Related Compounds

3-(6-Hydroxy-naphthalen-2-YL)-benzo[D]isooxazol-6-OL
CID 5287551
4-(6-Hydroxy-benzo[D]isoxazol-3-YL)benzene-1,3-diol
CID 5287464
4-Bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
CID 135433906
4-Chloro-6-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol
CID 135400938
3-(2-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135474202
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-5-ol
CID 135474625
4-Benzo[d]isoxazol-3-yl-benzene-1,3-diol
CID 135496123
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135526958
(3-{4-[(3-Phenyl-7-propyl-1,2-benzisoxazol-6-yl)oxy]butoxy}phenyl)acetic acid
CID 11753952
3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-ol
CID 135494161
2-(7-Methyl-1,2-benzoxazol-3-yl)acetic acid
CID 1235415
2-[3-(4-Fluorophenyl)-5-isoxazolyl]-4-methylphenol
CID 873889

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol (CID 135492323) is 3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol is Cc1cc(-c2noc3cc(O)ccc23)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol?
The InChIKey is OQEKDDUAVUDQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-8-6-9(2-5-12(8)17)14-11-4-3-10(16)7-13(11)18-15-14/h2-7,16-17H,1H3.
What are the key properties of 3-(4-hydroxy-3-methylphenyl)-1,2-benzoxazol-6-ol?
3-(4-hydroxy-3-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-3-methylphenyl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 135492323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).