2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

C12H14ClNO3 — CID 169451949

IUPAC2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2cccc(O)c2Cl)C1=O
InChIInChI=1S/C12H14ClNO3/c1-12(2)7-17-14(11(12)16)6-8-4-3-5-9(15)10(8)13/h3-5,15H,6-7H2,1-2H3
InChIKeyXMGWYYDBYIQXLC-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.35
Rot. Bonds2

About 2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 169451949) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID169451949
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2cccc(O)c2Cl)C1=O
InChIInChI=1S/C12H14ClNO3/c1-12(2)7-17-14(11(12)16)6-8-4-3-5-9(15)10(8)13/h3-5,15H,6-7H2,1-2H3
InChIKeyXMGWYYDBYIQXLC-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 169451949) is 2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CC1(C)CON(Cc2cccc(O)c2Cl)C1=O.
What is the InChIKey of 2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is XMGWYYDBYIQXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-12(2)7-17-14(11(12)16)6-8-4-3-5-9(15)10(8)13/h3-5,15H,6-7H2,1-2H3.
What are the key properties of 2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 255.70 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 169451949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).