methyl 2-hydroxy-3-phenylbutanoate

C11H14O3 — CID 14023743

IUPACmethyl 2-hydroxy-3-phenylbutanoate
SMILESCOC(=O)C(O)C(C)c1ccccc1
InChIInChI=1S/C11H14O3/c1-8(10(12)11(13)14-2)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3
InChIKeyCIBFKVUVTTWVKH-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.32
Rot. Bonds3

About methyl 2-hydroxy-3-phenylbutanoate

methyl 2-hydroxy-3-phenylbutanoate (PubChem CID 14023743) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-hydroxy-3-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-phenylbutanoate
PubChem CID14023743
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 2-hydroxy-3-phenylbutanoate
SMILESCOC(=O)C(O)C(C)c1ccccc1
InChIInChI=1S/C11H14O3/c1-8(10(12)11(13)14-2)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3
InChIKeyCIBFKVUVTTWVKH-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
methyl 2-hydroxy-3-(4-methylphenyl)butanoate
CID 66289000
methyl (2S,3S)-2-[(R)-hydroxy(phenyl)methyl]-3-phenylbutanoate
CID 101428067
methyl 3-chloro-2-hydroxy-3-phenylpropanoate
CID 20606306
methyl 2-chloro-3-phenylbutanoate
CID 62225465
(1-amino-1-oxopropan-2-yl) 2-hydroxy-3-phenylbutanoate
CID 126796604
methyl 2-deuterio-2-phenylpropanoate
CID 11984149
methyl 2-acetyl-3-phenylbutanoate
CID 12561390
methyl 2-hydroxy-3-(hydroxyamino)-3-phenylpropanoate
CID 151638252
methyl 2-hydroxy-3-(4-propylphenyl)butanoate
CID 66287752
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one
CID 102254058

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-phenylbutanoate?
The IUPAC name of methyl 2-hydroxy-3-phenylbutanoate (CID 14023743) is methyl 2-hydroxy-3-phenylbutanoate.
What is the SMILES notation for methyl 2-hydroxy-3-phenylbutanoate?
The canonical SMILES for methyl 2-hydroxy-3-phenylbutanoate is COC(=O)C(O)C(C)c1ccccc1.
What is the InChIKey of methyl 2-hydroxy-3-phenylbutanoate?
The InChIKey is CIBFKVUVTTWVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(10(12)11(13)14-2)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3.
What are the key properties of methyl 2-hydroxy-3-phenylbutanoate?
methyl 2-hydroxy-3-phenylbutanoate has a molecular weight of 194.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-phenylbutanoate is sourced from PubChem (CID 14023743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).