3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one

C9H7NO4 — CID 142619123

IUPAC3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one
SMILESO=c1onc(Cc2ccc(O)cc2)o1
InChIInChI=1S/C9H7NO4/c11-7-3-1-6(2-4-7)5-8-10-14-9(12)13-8/h1-4,11H,5H2
InChIKeyCSYRLDJINRCQCM-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.92
Rot. Bonds2

About 3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one

3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one (PubChem CID 142619123) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one
PubChem CID142619123
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one
SMILESO=c1onc(Cc2ccc(O)cc2)o1
InChIInChI=1S/C9H7NO4/c11-7-3-1-6(2-4-7)5-8-10-14-9(12)13-8/h1-4,11H,5H2
InChIKeyCSYRLDJINRCQCM-UHFFFAOYSA-N
XLogP0.92
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one (CID 142619123) is 3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one is O=c1onc(Cc2ccc(O)cc2)o1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one?
The InChIKey is CSYRLDJINRCQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c11-7-3-1-6(2-4-7)5-8-10-14-9(12)13-8/h1-4,11H,5H2.
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one?
3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one has a molecular weight of 193.16 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one is sourced from PubChem (CID 142619123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).