2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate

C16H18O4 — CID 117062352

IUPAC2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate
SMILESCCC(O)(C(=O)O)c1ccc(-c2ccccc2)cc1.O
InChIInChI=1S/C16H16O3.H2O/c1-2-16(19,15(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-11,19H,2H2,1H3,(H,17,18);1H2
InChIKeyDIKXYGPODWZVRU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds4

About 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate

2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate (PubChem CID 117062352) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate.

Molecular Properties

Compound Name2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate
PubChem CID117062352
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate
SMILESCCC(O)(C(=O)O)c1ccc(-c2ccccc2)cc1.O
InChIInChI=1S/C16H16O3.H2O/c1-2-16(19,15(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-11,19H,2H2,1H3,(H,17,18);1H2
InChIKeyDIKXYGPODWZVRU-UHFFFAOYSA-N
XLogP2.21
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate?
The IUPAC name of 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate (CID 117062352) is 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate.
What is the SMILES notation for 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate?
The canonical SMILES for 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate is CCC(O)(C(=O)O)c1ccc(-c2ccccc2)cc1.O.
What is the InChIKey of 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate?
The InChIKey is DIKXYGPODWZVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3.H2O/c1-2-16(19,15(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-11,19H,2H2,1H3,(H,17,18);1H2.
What are the key properties of 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate?
2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate has a molecular weight of 274.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate is sourced from PubChem (CID 117062352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).