(2S)-2-hydroxy-2-phenylacetate

C8H7O3- — CID 5460348

IUPAC(2S)-2-hydroxy-2-phenylacetate
SMILESO=C([O-])[C@@H](O)c1ccccc1
InChIInChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1/t7-/m0/s1
InChIKeyIWYDHOAUDWTVEP-ZETCQYMHSA-M
MW151.14 g/mol
LogP-0.53
Rot. Bonds2

About (2S)-2-hydroxy-2-phenylacetate

(2S)-2-hydroxy-2-phenylacetate (PubChem CID 5460348) has the molecular formula C8H7O3- and a molecular weight of 151.14 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenylacetate
PubChem CID5460348
Molecular FormulaC8H7O3-
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name(2S)-2-hydroxy-2-phenylacetate
SMILESO=C([O-])[C@@H](O)c1ccccc1
InChIInChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1/t7-/m0/s1
InChIKeyIWYDHOAUDWTVEP-ZETCQYMHSA-M
XLogP-0.53
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of (2S)-2-hydroxy-2-phenylacetate (CID 5460348) is (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for (2S)-2-hydroxy-2-phenylacetate is O=C([O-])[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is IWYDHOAUDWTVEP-ZETCQYMHSA-M. The full InChI is InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-phenylacetate?
(2S)-2-hydroxy-2-phenylacetate has a molecular weight of 151.14 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 5460348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).