methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate

C12H14O5S — CID 117428957

IUPACmethyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccccc1S(=O)(=O)C1CC1
InChIInChI=1S/C12H14O5S/c1-17-12(14)11(13)9-4-2-3-5-10(9)18(15,16)8-6-7-8/h2-5,8,11,13H,6-7H2,1H3
InChIKeyBHWOPTZSPZVIMR-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.83
Rot. Bonds4

About methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate

methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate (PubChem CID 117428957) has the molecular formula C12H14O5S and a molecular weight of 270.31 g/mol. Its IUPAC name is methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate
PubChem CID117428957
Molecular FormulaC12H14O5S
Molecular Weight270.31 g/mol
Exact Mass270.06
IUPAC Namemethyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccccc1S(=O)(=O)C1CC1
InChIInChI=1S/C12H14O5S/c1-17-12(14)11(13)9-4-2-3-5-10(9)18(15,16)8-6-7-8/h2-5,8,11,13H,6-7H2,1H3
InChIKeyBHWOPTZSPZVIMR-UHFFFAOYSA-N
XLogP0.83
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid
CID 117428997
2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol
CID 117391624
methyl 2-hydroxy-2-[2-(2-hydroxypropan-2-yl)phenyl]acetate
CID 117108610
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117447814
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613
methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117287616
1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine
CID 117355562
methyl 2-hydroxy-2-(3-hydroxy-2-methylsulfanylphenyl)acetate
CID 117328833
methyl (2S)-2-hydroxy-2-(2-nitrophenyl)acetate
CID 7054379
methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate
CID 117317848

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate (CID 117428957) is methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1ccccc1S(=O)(=O)C1CC1.
What is the InChIKey of methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate?
The InChIKey is BHWOPTZSPZVIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5S/c1-17-12(14)11(13)9-4-2-3-5-10(9)18(15,16)8-6-7-8/h2-5,8,11,13H,6-7H2,1H3.
What are the key properties of methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate?
methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate has a molecular weight of 270.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117428957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).