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

C17H11NO3 — CID 135449109

IUPAC2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2cc(-c3nc4ccc(O)cc4o3)ccc2c1
InChIInChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-18-15-6-5-14(20)9-16(15)21-17/h1-9,19-20H
InChIKeyPZIKVWJRAOMJDU-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.06
Rot. Bonds1

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

2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol (PubChem CID 135449109) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol
PubChem CID135449109
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2cc(-c3nc4ccc(O)cc4o3)ccc2c1
InChIInChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-18-15-6-5-14(20)9-16(15)21-17/h1-9,19-20H
InChIKeyPZIKVWJRAOMJDU-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

Fluorescent brightener 367
CID 78769
2-(5-Hydroxy-naphthalen-1-YL)-1,3-benzooxazol-6-OL
CID 4369550
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-5-ol
CID 9993627
2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol
CID 10062042
2-(2-Adamantylidenemethyl)-1,3-benzoxazol-6-ol
CID 22733402
2-[(1S)-5-[3-(1,3-benzoxazol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776385
3-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol
CID 135430305
2-(4-Hydroxyphenyl)benzo[d]oxazol-6-ol
CID 135471161
2-(6-Hydroxy-naphthalen-2-yl)-benzooxazol-5-ol
CID 135492380
4-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,3-diol
CID 135522275

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol (CID 135449109) is 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol is Oc1ccc2cc(-c3nc4ccc(O)cc4o3)ccc2c1.
What is the InChIKey of 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol?
The InChIKey is PZIKVWJRAOMJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-18-15-6-5-14(20)9-16(15)21-17/h1-9,19-20H.
What are the key properties of 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol?
2-(6-hydroxynaphthalen-2-yl)-1,3-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 2-(6-hydroxynaphthalen-2-yl)-1,3-benzoxazol-6-ol is sourced from PubChem (CID 135449109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).