2-hydroxy-2-phenylacetic acid

C8H8O3 — CID 1292

💊View drug profile → mandelic acid
IUPAC2-hydroxy-2-phenylacetic acid
SMILESO=C(O)C(O)c1ccccc1
InChIInChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
InChIKeyIWYDHOAUDWTVEP-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.80
Rot. Bonds2

About 2-hydroxy-2-phenylacetic acid

2-hydroxy-2-phenylacetic acid (PubChem CID 1292) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Name2-hydroxy-2-phenylacetic acid
PubChem CID1292
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2-hydroxy-2-phenylacetic acid
SMILESO=C(O)C(O)c1ccccc1
InChIInChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
InChIKeyIWYDHOAUDWTVEP-UHFFFAOYSA-N
XLogP0.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclandelate
CID 2893
Benzoin
CID 8400
Benzilic acid
CID 6463
(S)-mandelic acid
CID 439616
1-Phenyl-1,2-ethanediol
CID 7149
(+-)-3-(4-Hydroxyphenyl)lactic acid
CID 9378
(+-)-3-Phenyllactic acid
CID 3848
3-Phenyllactic acid, (S)-
CID 444718
(-)-Mandelic acid
CID 11914
Ethyl mandelate
CID 13050
Methoxyphenylacetic acid
CID 107202
(+-)-4-Hydroxymandelic acid
CID 328

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylacetic acid?
The IUPAC name of 2-hydroxy-2-phenylacetic acid (CID 1292) is 2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for 2-hydroxy-2-phenylacetic acid?
The canonical SMILES for 2-hydroxy-2-phenylacetic acid is O=C(O)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylacetic acid?
The InChIKey is IWYDHOAUDWTVEP-UHFFFAOYSA-N. 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).
What are the key properties of 2-hydroxy-2-phenylacetic acid?
2-hydroxy-2-phenylacetic acid has a molecular weight of 152.15 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 1292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).