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

C13H8ClNO3 — CID 135526994

IUPAC3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3ccc(O)c(Cl)c3)noc2c1
InChIInChI=1S/C13H8ClNO3/c14-10-5-7(1-4-11(10)17)13-9-3-2-8(16)6-12(9)18-15-13/h1-6,16-17H
InChIKeyXICYWCSTOINCBZ-UHFFFAOYSA-N
MW261.66 g/mol
LogP3.56
Rot. Bonds1

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

3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol (PubChem CID 135526994) has the molecular formula C13H8ClNO3 and a molecular weight of 261.66 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol
PubChem CID135526994
Molecular FormulaC13H8ClNO3
Molecular Weight261.66 g/mol
Exact Mass261.02
IUPAC Name3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3ccc(O)c(Cl)c3)noc2c1
InChIInChI=1S/C13H8ClNO3/c14-10-5-7(1-4-11(10)17)13-9-3-2-8(16)6-12(9)18-15-13/h1-6,16-17H
InChIKeyXICYWCSTOINCBZ-UHFFFAOYSA-N
XLogP3.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-Hydroxy-benzo[D]isoxazol-3-YL)benzene-1,3-diol
CID 5287464
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
4-Benzo[d]isoxazol-3-yl-benzene-1,3-diol
CID 135496123
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135526958
[3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-yl](2-hydroxyphenyl)methanone
CID 2805212
(4E)-4-(5-chloro-1H-2,1-benzoxazol-3-ylidene)-2-methylcyclohexa-2,5-dien-1-one
CID 4963862
4-Chloro-2-[3-(4-methylphenyl)-1,2-oxazol-5-yl]phenol
CID 4063261
4-(6-Hydroxybenzo[d]isoxazol-3-yl)-6-methylbenzene-1,3-diol
CID 135400902
3-(6-Hydroxynaphthalen-1-yl)benzo[d]isoxazol-6-ol
CID 135400937
3-(3-Bromo-4-hydroxyphenyl)benzo[d]isoxazol-6-ol
CID 135412817
3-(4-Hydroxy-2-methylphenyl)benzo[d]isoxazol-6-ol
CID 135438141

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol (CID 135526994) is 3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol is Oc1ccc2c(-c3ccc(O)c(Cl)c3)noc2c1.
What is the InChIKey of 3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol?
The InChIKey is XICYWCSTOINCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3/c14-10-5-7(1-4-11(10)17)13-9-3-2-8(16)6-12(9)18-15-13/h1-6,16-17H.
What are the key properties of 3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol?
3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol has a molecular weight of 261.66 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyphenyl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 135526994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).