2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one

C12H14ClNO4 — CID 169451389

IUPAC2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)C(=O)N(Cc2cc(O)ccc2Cl)OC1O
InChIInChI=1S/C12H14ClNO4/c1-12(2)10(16)14(18-11(12)17)6-7-5-8(15)3-4-9(7)13/h3-5,11,15,17H,6H2,1-2H3
InChIKeyNGAKEIIZUVLYMT-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.66
Rot. Bonds2

About 2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one

2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 169451389) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID169451389
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)C(=O)N(Cc2cc(O)ccc2Cl)OC1O
InChIInChI=1S/C12H14ClNO4/c1-12(2)10(16)14(18-11(12)17)6-7-5-8(15)3-4-9(7)13/h3-5,11,15,17H,6H2,1-2H3
InChIKeyNGAKEIIZUVLYMT-UHFFFAOYSA-N
XLogP1.66
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one (CID 169451389) is 2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one is CC1(C)C(=O)N(Cc2cc(O)ccc2Cl)OC1O.
What is the InChIKey of 2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is NGAKEIIZUVLYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-12(2)10(16)14(18-11(12)17)6-7-5-8(15)3-4-9(7)13/h3-5,11,15,17H,6H2,1-2H3.
What are the key properties of 2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 271.70 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-hydroxyphenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 169451389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).