2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol

C17H19NO2 — CID 3839082

IUPAC2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol
SMILESCC1C(c2ccccc2)OC(c2ccccc2O)N1C
InChIInChI=1S/C17H19NO2/c1-12-16(13-8-4-3-5-9-13)20-17(18(12)2)14-10-6-7-11-15(14)19/h3-12,16-17,19H,1-2H3
InChIKeyBOKYNTRREGYZJE-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.48
Rot. Bonds2

About 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol

2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol (PubChem CID 3839082) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol.

Molecular Properties

Compound Name2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol
PubChem CID3839082
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol
SMILESCC1C(c2ccccc2)OC(c2ccccc2O)N1C
InChIInChI=1S/C17H19NO2/c1-12-16(13-8-4-3-5-9-13)20-17(18(12)2)14-10-6-7-11-15(14)19/h3-12,16-17,19H,1-2H3
InChIKeyBOKYNTRREGYZJE-UHFFFAOYSA-N
XLogP3.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol?
The IUPAC name of 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol (CID 3839082) is 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol.
What is the SMILES notation for 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol?
The canonical SMILES for 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol is CC1C(c2ccccc2)OC(c2ccccc2O)N1C.
What is the InChIKey of 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol?
The InChIKey is BOKYNTRREGYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-16(13-8-4-3-5-9-13)20-17(18(12)2)14-10-6-7-11-15(14)19/h3-12,16-17,19H,1-2H3.
What are the key properties of 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol?
2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol has a molecular weight of 269.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenol is sourced from PubChem (CID 3839082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).