2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid

C23H30O3 — CID 152546221

IUPAC2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid
SMILESCC(C)(C)c1cc(C(C)(C(=O)O)c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H30O3/c1-21(2,3)17-13-16(14-18(19(17)24)22(4,5)6)23(7,20(25)26)15-11-9-8-10-12-15/h8-14,24H,1-7H3,(H,25,26)
InChIKeyYMNQXVSLMWTMCE-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.38
Rot. Bonds3

About 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid

2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid (PubChem CID 152546221) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid
PubChem CID152546221
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid
SMILESCC(C)(C)c1cc(C(C)(C(=O)O)c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H30O3/c1-21(2,3)17-13-16(14-18(19(17)24)22(4,5)6)23(7,20(25)26)15-11-9-8-10-12-15/h8-14,24H,1-7H3,(H,25,26)
InChIKeyYMNQXVSLMWTMCE-UHFFFAOYSA-N
XLogP5.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;2-ethylbutane-1,2-diol
CID 175116291
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
2,2-bis(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoic acid
CID 88656141
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid
CID 174723057
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-phenoxy-2-phenylacetic acid
CID 141481380
4-(benzenesulfonyl)-2,6-ditert-butylphenol
CID 18352046
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 136794022
2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 139632954

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid?
The IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid (CID 152546221) is 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid?
The canonical SMILES for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid is CC(C)(C)c1cc(C(C)(C(=O)O)c2ccccc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid?
The InChIKey is YMNQXVSLMWTMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-21(2,3)17-13-16(14-18(19(17)24)22(4,5)6)23(7,20(25)26)15-11-9-8-10-12-15/h8-14,24H,1-7H3,(H,25,26).
What are the key properties of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid?
2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid has a molecular weight of 354.49 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 152546221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).