3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid

C22H20O3 — CID 3054482

IUPAC3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid
SMILESCc1ccc(C(O)(CC(=O)O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c1-16-7-11-19(12-8-16)22(25,15-21(23)24)20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-14,25H,15H2,1H3,(H,23,24)
InChIKeyJOZFWIRDUWCBAO-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.37
Rot. Bonds5

About 3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid

3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid (PubChem CID 3054482) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid
PubChem CID3054482
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid
SMILESCc1ccc(C(O)(CC(=O)O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c1-16-7-11-19(12-8-16)22(25,15-21(23)24)20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-14,25H,15H2,1H3,(H,23,24)
InChIKeyJOZFWIRDUWCBAO-UHFFFAOYSA-N
XLogP4.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of 3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid (CID 3054482) is 3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid is Cc1ccc(C(O)(CC(=O)O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid?
The InChIKey is JOZFWIRDUWCBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-16-7-11-19(12-8-16)22(25,15-21(23)24)20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-14,25H,15H2,1H3,(H,23,24).
What are the key properties of 3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid?
3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid has a molecular weight of 332.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methylphenyl)-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 3054482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).