(3R)-3-hydroxy-3-phenylpropanoic acid

C9H10O3 — CID 6950815

IUPAC(3R)-3-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
InChIKeyAYOLELPCNDVZKZ-MRVPVSSYSA-N
MW166.18 g/mol
LogP1.19
Rot. Bonds3

About (3R)-3-hydroxy-3-phenylpropanoic acid

(3R)-3-hydroxy-3-phenylpropanoic acid (PubChem CID 6950815) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-phenylpropanoic acid
PubChem CID6950815
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(3R)-3-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
InChIKeyAYOLELPCNDVZKZ-MRVPVSSYSA-N
XLogP1.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-hydroxy-3-phenylpropanoic acid (CID 6950815) is (3R)-3-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-hydroxy-3-phenylpropanoic acid is O=C(O)C[C@@H](O)c1ccccc1.
What is the InChIKey of (3R)-3-hydroxy-3-phenylpropanoic acid?
The InChIKey is AYOLELPCNDVZKZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-phenylpropanoic acid?
(3R)-3-hydroxy-3-phenylpropanoic acid has a molecular weight of 166.18 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 6950815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).