2-hydroxy-3-methoxy-2-phenylpropanoic acid

C10H12O4 — CID 15078575

IUPAC2-hydroxy-3-methoxy-2-phenylpropanoic acid
SMILESCOCC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H12O4/c1-14-7-10(13,9(11)12)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3,(H,11,12)
InChIKeyCKTVFIBVWJNPGU-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.61
Rot. Bonds4

About 2-hydroxy-3-methoxy-2-phenylpropanoic acid

2-hydroxy-3-methoxy-2-phenylpropanoic acid (PubChem CID 15078575) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-2-phenylpropanoic acid
PubChem CID15078575
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-hydroxy-3-methoxy-2-phenylpropanoic acid
SMILESCOCC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H12O4/c1-14-7-10(13,9(11)12)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3,(H,11,12)
InChIKeyCKTVFIBVWJNPGU-UHFFFAOYSA-N
XLogP0.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-2-phenylpropanoic acid?
The IUPAC name of 2-hydroxy-3-methoxy-2-phenylpropanoic acid (CID 15078575) is 2-hydroxy-3-methoxy-2-phenylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-methoxy-2-phenylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-methoxy-2-phenylpropanoic acid is COCC(O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-hydroxy-3-methoxy-2-phenylpropanoic acid?
The InChIKey is CKTVFIBVWJNPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-14-7-10(13,9(11)12)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3,(H,11,12).
What are the key properties of 2-hydroxy-3-methoxy-2-phenylpropanoic acid?
2-hydroxy-3-methoxy-2-phenylpropanoic acid has a molecular weight of 196.20 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-2-phenylpropanoic acid is sourced from PubChem (CID 15078575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).