2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid

C25H26O4 — CID 141481380

IUPAC2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid
SMILESCc1cc(C(C)(C)C)c(O)c(C(Oc2ccccc2)(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C25H26O4/c1-17-15-20(24(2,3)4)22(26)21(16-17)25(23(27)28,18-11-7-5-8-12-18)29-19-13-9-6-10-14-19/h5-16,26H,1-4H3,(H,27,28)
InChIKeyFLHVCYCUBQONPJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.41
Rot. Bonds5

About 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid

2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid (PubChem CID 141481380) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid
PubChem CID141481380
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid
SMILESCc1cc(C(C)(C)C)c(O)c(C(Oc2ccccc2)(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C25H26O4/c1-17-15-20(24(2,3)4)22(26)21(16-17)25(23(27)28,18-11-7-5-8-12-18)29-19-13-9-6-10-14-19/h5-16,26H,1-4H3,(H,27,28)
InChIKeyFLHVCYCUBQONPJ-UHFFFAOYSA-N
XLogP5.41
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-bis(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoic acid
CID 88656141
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid
CID 152546221
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
CID 135147079
3-tert-butyl-2-hydroxy-5-methylbenzoic acid
CID 3736139

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid?
The IUPAC name of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid (CID 141481380) is 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid.
What is the SMILES notation for 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid?
The canonical SMILES for 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid is Cc1cc(C(C)(C)C)c(O)c(C(Oc2ccccc2)(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid?
The InChIKey is FLHVCYCUBQONPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-17-15-20(24(2,3)4)22(26)21(16-17)25(23(27)28,18-11-7-5-8-12-18)29-19-13-9-6-10-14-19/h5-16,26H,1-4H3,(H,27,28).
What are the key properties of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid?
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid has a molecular weight of 390.48 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid is sourced from PubChem (CID 141481380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).