3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one

C17H17NO3 — CID 137345414

IUPAC3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCOC2=O)c(-c2ccc(O)cc2C)c1
InChIInChI=1S/C17H17NO3/c1-11-3-6-16(18-7-8-21-17(18)20)15(9-11)14-5-4-13(19)10-12(14)2/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyHHCAIEHTUIQTDE-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.63
Rot. Bonds2

About 3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one

3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one (PubChem CID 137345414) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one
PubChem CID137345414
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCOC2=O)c(-c2ccc(O)cc2C)c1
InChIInChI=1S/C17H17NO3/c1-11-3-6-16(18-7-8-21-17(18)20)15(9-11)14-5-4-13(19)10-12(14)2/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyHHCAIEHTUIQTDE-UHFFFAOYSA-N
XLogP3.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one (CID 137345414) is 3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one is Cc1ccc(N2CCOC2=O)c(-c2ccc(O)cc2C)c1.
What is the InChIKey of 3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is HHCAIEHTUIQTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-3-6-16(18-7-8-21-17(18)20)15(9-11)14-5-4-13(19)10-12(14)2/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of 3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one?
3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxy-2-methylphenyl)-4-methylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 137345414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).