4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol

C14H11NO4 — CID 135400902

IUPAC4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol
SMILESCc1cc(-c2noc3cc(O)ccc23)c(O)cc1O
InChIInChI=1S/C14H11NO4/c1-7-4-10(12(18)6-11(7)17)14-9-3-2-8(16)5-13(9)19-15-14/h2-6,16-18H,1H3
InChIKeyCNFCFTUMPNRLBC-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.92
Rot. Bonds1

About 4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol

4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol (PubChem CID 135400902) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol
PubChem CID135400902
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol
SMILESCc1cc(-c2noc3cc(O)ccc23)c(O)cc1O
InChIInChI=1S/C14H11NO4/c1-7-4-10(12(18)6-11(7)17)14-9-3-2-8(16)5-13(9)19-15-14/h2-6,16-18H,1H3
InChIKeyCNFCFTUMPNRLBC-UHFFFAOYSA-N
XLogP2.92
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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 4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol?
The IUPAC name of 4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol (CID 135400902) is 4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol is Cc1cc(-c2noc3cc(O)ccc23)c(O)cc1O.
What is the InChIKey of 4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol?
The InChIKey is CNFCFTUMPNRLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-7-4-10(12(18)6-11(7)17)14-9-3-2-8(16)5-13(9)19-15-14/h2-6,16-18H,1H3.
What are the key properties of 4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol?
4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol has a molecular weight of 257.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxy-1,2-benzoxazol-3-yl)-6-methylbenzene-1,3-diol is sourced from PubChem (CID 135400902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).