methyl 2-hydroxy-3-phenylpropanoate

C10H12O3 — CID 518800

IUPACmethyl 2-hydroxy-3-phenylpropanoate
SMILESCOC(=O)C(O)Cc1ccccc1
InChIInChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKeyNMPPJJIBQQCOOI-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.76
Rot. Bonds3

About methyl 2-hydroxy-3-phenylpropanoate

methyl 2-hydroxy-3-phenylpropanoate (PubChem CID 518800) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-phenylpropanoate
PubChem CID518800
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 2-hydroxy-3-phenylpropanoate
SMILESCOC(=O)C(O)Cc1ccccc1
InChIInChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKeyNMPPJJIBQQCOOI-UHFFFAOYSA-N
XLogP0.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-phenylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-phenylpropanoate (CID 518800) is methyl 2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-phenylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-phenylpropanoate is COC(=O)C(O)Cc1ccccc1.
What is the InChIKey of methyl 2-hydroxy-3-phenylpropanoate?
The InChIKey is NMPPJJIBQQCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3.
What are the key properties of methyl 2-hydroxy-3-phenylpropanoate?
methyl 2-hydroxy-3-phenylpropanoate has a molecular weight of 180.20 g/mol, XLogP of 0.76, 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-phenylpropanoate is sourced from PubChem (CID 518800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).