3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol

C17H11NO3 — CID 135400937

IUPAC3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3noc4cc(O)ccc34)cccc2c1
InChIInChI=1S/C17H11NO3/c19-11-4-6-13-10(8-11)2-1-3-14(13)17-15-7-5-12(20)9-16(15)21-18-17/h1-9,19-20H
InChIKeyWGTLZNFFTOQXMD-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.06
Rot. Bonds1

About 3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol

3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol (PubChem CID 135400937) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol
PubChem CID135400937
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3noc4cc(O)ccc34)cccc2c1
InChIInChI=1S/C17H11NO3/c19-11-4-6-13-10(8-11)2-1-3-14(13)17-15-7-5-12(20)9-16(15)21-18-17/h1-9,19-20H
InChIKeyWGTLZNFFTOQXMD-UHFFFAOYSA-N
XLogP4.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.06
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
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
3-{3-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-propionic acid
CID 44385399
4-(6-Hydroxybenzo[d]isoxazol-3-yl)-6-methylbenzene-1,3-diol
CID 135400902
3-(3-Bromo-4-hydroxyphenyl)benzo[d]isoxazol-6-ol
CID 135412817

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol (CID 135400937) is 3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol is Oc1ccc2c(-c3noc4cc(O)ccc34)cccc2c1.
What is the InChIKey of 3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol?
The InChIKey is WGTLZNFFTOQXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-11-4-6-13-10(8-11)2-1-3-14(13)17-15-7-5-12(20)9-16(15)21-18-17/h1-9,19-20H.
What are the key properties of 3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol?
3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol has a molecular weight of 277.28 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxynaphthalen-1-yl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 135400937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).