2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid

C35H38O3 — CID 139751321

IUPAC2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid
SMILESCC(C)c1ccc(C(c2ccc(C(C)C)cc2)(c2ccc(C(C)C)cc2)c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C35H38O3/c1-22(2)25-7-13-28(14-8-25)35(29-15-9-26(10-16-29)23(3)4,30-17-11-27(12-18-30)24(5)6)31-19-20-33(36)32(21-31)34(37)38/h7-24,36H,1-6H3,(H,37,38)
InChIKeyFZTLVHKMHINPIN-UHFFFAOYSA-N
MW506.69 g/mol
LogP8.84
Rot. Bonds8

About 2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid

2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid (PubChem CID 139751321) has the molecular formula C35H38O3 and a molecular weight of 506.69 g/mol. Its IUPAC name is 2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid
PubChem CID139751321
Molecular FormulaC35H38O3
Molecular Weight506.69 g/mol
Exact Mass506.28
IUPAC Name2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid
SMILESCC(C)c1ccc(C(c2ccc(C(C)C)cc2)(c2ccc(C(C)C)cc2)c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C35H38O3/c1-22(2)25-7-13-28(14-8-25)35(29-15-9-26(10-16-29)23(3)4,30-17-11-27(12-18-30)24(5)6)31-19-20-33(36)32(21-31)34(37)38/h7-24,36H,1-6H3,(H,37,38)
InChIKeyFZTLVHKMHINPIN-UHFFFAOYSA-N
XLogP8.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid 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-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid (CID 139751321) is 2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid is CC(C)c1ccc(C(c2ccc(C(C)C)cc2)(c2ccc(C(C)C)cc2)c2ccc(O)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid?
The InChIKey is FZTLVHKMHINPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38O3/c1-22(2)25-7-13-28(14-8-25)35(29-15-9-26(10-16-29)23(3)4,30-17-11-27(12-18-30)24(5)6)31-19-20-33(36)32(21-31)34(37)38/h7-24,36H,1-6H3,(H,37,38).
What are the key properties of 2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid?
2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid has a molecular weight of 506.69 g/mol, XLogP of 8.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid is sourced from PubChem (CID 139751321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).