4-methoxy-2-(oxaziridin-3-yl)phenol

C8H9NO3 — CID 174408639

IUPAC4-methoxy-2-(oxaziridin-3-yl)phenol
SMILESCOc1ccc(O)c(C2NO2)c1
InChIInChI=1S/C8H9NO3/c1-11-5-2-3-7(10)6(4-5)8-9-12-8/h2-4,8-10H,1H3
InChIKeyZSDKGOUZONYTOA-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.93
Rot. Bonds2

About 4-methoxy-2-(oxaziridin-3-yl)phenol

4-methoxy-2-(oxaziridin-3-yl)phenol (PubChem CID 174408639) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-methoxy-2-(oxaziridin-3-yl)phenol.

Molecular Properties

Compound Name4-methoxy-2-(oxaziridin-3-yl)phenol
PubChem CID174408639
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name4-methoxy-2-(oxaziridin-3-yl)phenol
SMILESCOc1ccc(O)c(C2NO2)c1
InChIInChI=1S/C8H9NO3/c1-11-5-2-3-7(10)6(4-5)8-9-12-8/h2-4,8-10H,1H3
InChIKeyZSDKGOUZONYTOA-UHFFFAOYSA-N
XLogP0.93
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735
4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104
2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol
CID 178197138
(4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184351
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
2-cyclopent-2-en-1-yl-4-methoxyphenol
CID 12507154
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
7-(2-hydroxy-5-methoxyphenyl)-2-thia-6-azabicyclo[3.2.0]hepta-1(5),3-diene-3-carbonitrile
CID 54119127
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
2-hydroxysulfanyl-4-methoxyphenol
CID 143396910

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(oxaziridin-3-yl)phenol?
The IUPAC name of 4-methoxy-2-(oxaziridin-3-yl)phenol (CID 174408639) is 4-methoxy-2-(oxaziridin-3-yl)phenol.
What is the SMILES notation for 4-methoxy-2-(oxaziridin-3-yl)phenol?
The canonical SMILES for 4-methoxy-2-(oxaziridin-3-yl)phenol is COc1ccc(O)c(C2NO2)c1.
What is the InChIKey of 4-methoxy-2-(oxaziridin-3-yl)phenol?
The InChIKey is ZSDKGOUZONYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-11-5-2-3-7(10)6(4-5)8-9-12-8/h2-4,8-10H,1H3.
What are the key properties of 4-methoxy-2-(oxaziridin-3-yl)phenol?
4-methoxy-2-(oxaziridin-3-yl)phenol has a molecular weight of 167.16 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(oxaziridin-3-yl)phenol is sourced from PubChem (CID 174408639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).