2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one

C11H12ClNO3 — CID 134094277

IUPAC2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)C(=O)N(c2ccc(Cl)cc2)OC1O
InChIInChI=1S/C11H12ClNO3/c1-11(2)9(14)13(16-10(11)15)8-5-3-7(12)4-6-8/h3-6,10,15H,1-2H3
InChIKeyHDEDUZPBHAYYGR-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.96
Rot. Bonds1

About 2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one

2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 134094277) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID134094277
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)C(=O)N(c2ccc(Cl)cc2)OC1O
InChIInChI=1S/C11H12ClNO3/c1-11(2)9(14)13(16-10(11)15)8-5-3-7(12)4-6-8/h3-6,10,15H,1-2H3
InChIKeyHDEDUZPBHAYYGR-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one
CID 134102918
5-chloro-1-(4-chlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione
CID 70538508
(3aR,4R,7S,7aR)-2-(4-chlorophenyl)-4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 98197959
1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
CID 117020860
1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020355
methyl 1-(4-chlorophenyl)-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022975
3-(4-chlorophenyl)-2,2-dimethylcyclobutan-1-one
CID 11789026
2-[1-(4-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017368
3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one
CID 10088465
5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one
CID 46289238
3-acetyl-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 101396908
1-(4-chlorophenyl)-2,2-dimethyl-5-oxopyrrolidine-3-carboxylic acid
CID 117022881

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one (CID 134094277) is 2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one is CC1(C)C(=O)N(c2ccc(Cl)cc2)OC1O.
What is the InChIKey of 2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is HDEDUZPBHAYYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-11(2)9(14)13(16-10(11)15)8-5-3-7(12)4-6-8/h3-6,10,15H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one?
2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 241.67 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 134094277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).