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

C17H11NO3 — CID 5287551

IUPAC3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1
InChIInChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-15-6-5-14(20)9-16(15)21-18-17/h1-9,19-20H
InChIKeyLCGSYJVWLGYWTD-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.06
Rot. Bonds1

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

3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol (PubChem CID 5287551) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol
PubChem CID5287551
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1
InChIInChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-15-6-5-14(20)9-16(15)21-18-17/h1-9,19-20H
InChIKeyLCGSYJVWLGYWTD-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-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol
CID 135524469
3-anthracen-2-yl-1,2-benzoxazole
CID 153493009
3-(2-bromophenyl)-1,2-benzoxazol-6-ol
CID 136705364
3-(4-methylphenyl)-1,2-benzoxazol-5-ol
CID 105482853
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
CID 11514345
6-(2-hydroxyphenyl)naphthalen-2-ol
CID 11368353
1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol
CID 160998401
6-pyrazolo[1,5-a]pyrazin-4-ylnaphthalen-2-ol
CID 166336560
4-(6-methoxy-1,2-benzoxazol-3-yl)aniline
CID 82105934
8-(1,2,3,5-dithiadiazol-1-ium-4-yl)tetracen-2-ol
CID 136901645
6-(5-methylthiophen-2-yl)naphthalen-2-ol
CID 166336510

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol (CID 5287551) is 3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol is Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1.
What is the InChIKey of 3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol?
The InChIKey is LCGSYJVWLGYWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-15-6-5-14(20)9-16(15)21-18-17/h1-9,19-20H.
What are the key properties of 3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol?
3-(6-hydroxynaphthalen-2-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-2-yl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 5287551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).