2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol

C14H20ClNO3 — CID 175057356

IUPAC2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol
SMILESCC1(C)CON(Cc2ccccc2Cl)C1=O.CCO
InChIInChI=1S/C12H14ClNO2.C2H6O/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13;1-2-3/h3-6H,7-8H2,1-2H3;3H,2H2,1H3
InChIKeyFREXHBRKBPLWCJ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.64
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol (PubChem CID 175057356) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol
PubChem CID175057356
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol
SMILESCC1(C)CON(Cc2ccccc2Cl)C1=O.CCO
InChIInChI=1S/C12H14ClNO2.C2H6O/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13;1-2-3/h3-6H,7-8H2,1-2H3;3H,2H2,1H3
InChIKeyFREXHBRKBPLWCJ-UHFFFAOYSA-N
XLogP2.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;3,6-dichloro-2-methoxybenzoic acid
CID 121485128
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
CID 13192567
2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 171984717
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;2-(5-chloroquinolin-8-yl)oxyacetic acid
CID 67384054
3-chloro-4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]benzonitrile
CID 13192576
2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 70432782
2-[(2-chloro-3,5-dihydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 169451849
2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 70432010
[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl] N-methylcarbamate
CID 171984971
4-[3-chloro-4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]anilino]-4-oxo-2-phenylbut-2-enoic acid
CID 54233713
2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 56689343
5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one;2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 70135940

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol (CID 175057356) is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol is CC1(C)CON(Cc2ccccc2Cl)C1=O.CCO.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol?
The InChIKey is FREXHBRKBPLWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2.C2H6O/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13;1-2-3/h3-6H,7-8H2,1-2H3;3H,2H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol?
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol has a molecular weight of 285.77 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol is sourced from PubChem (CID 175057356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).