2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid

C25H26O4 — CID 10596555

IUPAC2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid
SMILESCc1ccc(CCCOC(c2ccccc2)(c2ccccc2)C(O)C(=O)O)cc1
InChIInChI=1S/C25H26O4/c1-19-14-16-20(17-15-19)9-8-18-29-25(23(26)24(27)28,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-17,23,26H,8-9,18H2,1H3,(H,27,28)
InChIKeyHYXVTHMEXLMOON-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.33
Rot. Bonds9

About 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid

2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid (PubChem CID 10596555) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid
PubChem CID10596555
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid
SMILESCc1ccc(CCCOC(c2ccccc2)(c2ccccc2)C(O)C(=O)O)cc1
InChIInChI=1S/C25H26O4/c1-19-14-16-20(17-15-19)9-8-18-29-25(23(26)24(27)28,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-17,23,26H,8-9,18H2,1H3,(H,27,28)
InChIKeyHYXVTHMEXLMOON-UHFFFAOYSA-N
XLogP4.33
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid (CID 10596555) is 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid is Cc1ccc(CCCOC(c2ccccc2)(c2ccccc2)C(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid?
The InChIKey is HYXVTHMEXLMOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-19-14-16-20(17-15-19)9-8-18-29-25(23(26)24(27)28,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-17,23,26H,8-9,18H2,1H3,(H,27,28).
What are the key properties of 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid?
2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid has a molecular weight of 390.48 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoic acid is sourced from PubChem (CID 10596555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).