methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate

C11H14O3 — CID 15626355

IUPACmethyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
SMILESCOC(=O)[C@](C)(O)c1ccc(C)cc1
InChIInChI=1S/C11H14O3/c1-8-4-6-9(7-5-8)11(2,13)10(12)14-3/h4-7,13H,1-3H3/t11-/m1/s1
InChIKeyBYBXTMLCJAAVED-LLVKDONJSA-N
MW194.23 g/mol
LogP1.38
Rot. Bonds2

About methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate

methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate (PubChem CID 15626355) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
PubChem CID15626355
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
SMILESCOC(=O)[C@](C)(O)c1ccc(C)cc1
InChIInChI=1S/C11H14O3/c1-8-4-6-9(7-5-8)11(2,13)10(12)14-3/h4-7,13H,1-3H3/t11-/m1/s1
InChIKeyBYBXTMLCJAAVED-LLVKDONJSA-N
XLogP1.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate
CID 572033
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
CID 22574226
3-hydroxy-3-(4-methylphenyl)butan-2-one
CID 121217070
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
methyl (2R)-2-hydroxy-2-(3-methylphenyl)propanoate
CID 56926601
methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate
CID 62214131
methyl 2-methyl-2-(4-methylphenyl)propanoate;2-methyl-2-(4-methylphenyl)propanoic acid
CID 160807405
methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
CID 62214650
methyl 4-hydroxy-4-(4-methylphenyl)pent-2-ynoate
CID 139257501
(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate
CID 177256002
dimethyl (2R,3R)-2,3-dicyano-2,3-bis(4-methylphenyl)butanedioate
CID 170847975
methyl 2-(4-methylphenyl)-2-phenyl-2-sulfanylacetate
CID 87833882

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate?
The IUPAC name of methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate (CID 15626355) is methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate is COC(=O)[C@](C)(O)c1ccc(C)cc1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate?
The InChIKey is BYBXTMLCJAAVED-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-6-9(7-5-8)11(2,13)10(12)14-3/h4-7,13H,1-3H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate?
methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate is sourced from PubChem (CID 15626355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).