acetic acid;2-hydroxy-2-phenylacetic acid

C10H12O5 — CID 67499056

IUPACacetic acid;2-hydroxy-2-phenylacetic acid
SMILESCC(=O)O.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C8H8O3.C2H4O2/c9-7(8(10)11)6-4-2-1-3-5-6;1-2(3)4/h1-5,7,9H,(H,10,11);1H3,(H,3,4)
InChIKeySKTMINQQEBWWHL-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.90
Rot. Bonds2

About acetic acid;2-hydroxy-2-phenylacetic acid

acetic acid;2-hydroxy-2-phenylacetic acid (PubChem CID 67499056) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is acetic acid;2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Nameacetic acid;2-hydroxy-2-phenylacetic acid
PubChem CID67499056
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Nameacetic acid;2-hydroxy-2-phenylacetic acid
SMILESCC(=O)O.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C8H8O3.C2H4O2/c9-7(8(10)11)6-4-2-1-3-5-6;1-2(3)4/h1-5,7,9H,(H,10,11);1H3,(H,3,4)
InChIKeySKTMINQQEBWWHL-UHFFFAOYSA-N
XLogP0.90
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
barium(2+);hydride;2-hydroxy-2-phenylacetic acid
CID 172999796
magnesium;hydride;2-hydroxy-2-phenylacetic acid
CID 173047691
azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102
calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid
CID 174709694

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-hydroxy-2-phenylacetic acid?
The IUPAC name of acetic acid;2-hydroxy-2-phenylacetic acid (CID 67499056) is acetic acid;2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for acetic acid;2-hydroxy-2-phenylacetic acid?
The canonical SMILES for acetic acid;2-hydroxy-2-phenylacetic acid is CC(=O)O.O=C(O)C(O)c1ccccc1.
What is the InChIKey of acetic acid;2-hydroxy-2-phenylacetic acid?
The InChIKey is SKTMINQQEBWWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C2H4O2/c9-7(8(10)11)6-4-2-1-3-5-6;1-2(3)4/h1-5,7,9H,(H,10,11);1H3,(H,3,4).
What are the key properties of acetic acid;2-hydroxy-2-phenylacetic acid?
acetic acid;2-hydroxy-2-phenylacetic acid has a molecular weight of 212.20 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 67499056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).