5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one

C9H9NO3 — CID 105437865

IUPAC5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one
SMILESO=C1CC(c2ccc(O)cc2)ON1
InChIInChI=1S/C9H9NO3/c11-7-3-1-6(2-4-7)8-5-9(12)10-13-8/h1-4,8,11H,5H2,(H,10,12)
InChIKeyMBEGFPLWAGKLRR-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.88
Rot. Bonds1

About 5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one

5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one (PubChem CID 105437865) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one
PubChem CID105437865
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one
SMILESO=C1CC(c2ccc(O)cc2)ON1
InChIInChI=1S/C9H9NO3/c11-7-3-1-6(2-4-7)8-5-9(12)10-13-8/h1-4,8,11H,5H2,(H,10,12)
InChIKeyMBEGFPLWAGKLRR-UHFFFAOYSA-N
XLogP0.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
6-(4-hydroxyphenyl)piperidine-2,4-dione
CID 83819813
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane
CID 66777697
2-(4-hydroxyphenyl)-1-methylimidazolidin-4-one
CID 174408760
4-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 143618145
7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 42607833
2-(4-hydroxyphenyl)cyclopentane-1,3-dione
CID 163536929
4-(1,3-dioxetan-2-yl)phenol
CID 57167752
1,4-bis(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 163038939
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
6-(4-hydroxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one
CID 71652067

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one?
The IUPAC name of 5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one (CID 105437865) is 5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one is O=C1CC(c2ccc(O)cc2)ON1.
What is the InChIKey of 5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one?
The InChIKey is MBEGFPLWAGKLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-7-3-1-6(2-4-7)8-5-9(12)10-13-8/h1-4,8,11H,5H2,(H,10,12).
What are the key properties of 5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one?
5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one has a molecular weight of 179.17 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 105437865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).