methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate

C11H14O3 — CID 15081579

IUPACmethyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
SMILESCOC(=O)C[C@@H](O)c1ccc(C)cc1
InChIInChI=1S/C11H14O3/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6,10,12H,7H2,1-2H3/t10-/m1/s1
InChIKeyGANZSABMUMXELE-SNVBAGLBSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds3

About methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate

methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate (PubChem CID 15081579) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
PubChem CID15081579
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
SMILESCOC(=O)C[C@@H](O)c1ccc(C)cc1
InChIInChI=1S/C11H14O3/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6,10,12H,7H2,1-2H3/t10-/m1/s1
InChIKeyGANZSABMUMXELE-SNVBAGLBSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
propyl 3-hydroxy-3-(4-methylphenyl)propanoate
CID 73003884
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
methyl 3-[1-(4-methylphenyl)ethylamino]butanoate
CID 54963886
methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate
CID 138605518
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl 3-(3,5-difluorophenyl)-3-hydroxypropanoate
CID 19770417
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl 3-[1-(4-methylphenyl)ethylamino]propanoate
CID 43139755

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate (CID 15081579) is methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate is COC(=O)C[C@@H](O)c1ccc(C)cc1.
What is the InChIKey of methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate?
The InChIKey is GANZSABMUMXELE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6,10,12H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate?
methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 15081579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).