2-benzyl-2-hydroxy-3-phenylpropanoic acid

C16H16O3 — CID 2749084

IUPAC2-benzyl-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16O3/c17-15(18)16(19,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,17,18)
InChIKeyJHQYMQWWFIWNCS-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.29
Rot. Bonds5

About 2-benzyl-2-hydroxy-3-phenylpropanoic acid

2-benzyl-2-hydroxy-3-phenylpropanoic acid (PubChem CID 2749084) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-benzyl-2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-benzyl-2-hydroxy-3-phenylpropanoic acid
PubChem CID2749084
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-benzyl-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16O3/c17-15(18)16(19,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,17,18)
InChIKeyJHQYMQWWFIWNCS-UHFFFAOYSA-N
XLogP2.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of 2-benzyl-2-hydroxy-3-phenylpropanoic acid (CID 2749084) is 2-benzyl-2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for 2-benzyl-2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for 2-benzyl-2-hydroxy-3-phenylpropanoic acid is O=C(O)C(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-2-hydroxy-3-phenylpropanoic acid?
The InChIKey is JHQYMQWWFIWNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-15(18)16(19,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,17,18).
What are the key properties of 2-benzyl-2-hydroxy-3-phenylpropanoic acid?
2-benzyl-2-hydroxy-3-phenylpropanoic acid has a molecular weight of 256.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 2749084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).