4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one

C11H13NO4 — CID 115063942

IUPAC4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CO)COC(=O)N1c1ccccc1O
InChIInChI=1S/C11H13NO4/c1-11(6-13)7-16-10(15)12(11)8-4-2-3-5-9(8)14/h2-5,13-14H,6-7H2,1H3
InChIKeyMBDMIQAOTODHGZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.10
Rot. Bonds2

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

4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 115063942) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID115063942
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CO)COC(=O)N1c1ccccc1O
InChIInChI=1S/C11H13NO4/c1-11(6-13)7-16-10(15)12(11)8-4-2-3-5-9(8)14/h2-5,13-14H,6-7H2,1H3
InChIKeyMBDMIQAOTODHGZ-UHFFFAOYSA-N
XLogP1.10
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115063939
2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115064623
4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115064459
2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid
CID 115064614
6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione
CID 23044514
3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115064056
3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115064700
4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 87429760
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione
CID 56688466
3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064794
3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one
CID 105475757

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one (CID 115063942) is 4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one is CC1(CO)COC(=O)N1c1ccccc1O.
What is the InChIKey of 4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is MBDMIQAOTODHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-11(6-13)7-16-10(15)12(11)8-4-2-3-5-9(8)14/h2-5,13-14H,6-7H2,1H3.
What are the key properties of 4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one?
4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 223.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115063942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).