2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid

C24H32O4 — CID 21455364

IUPAC2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid
SMILESCc1cc(C(C(=O)O)c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H32O4/c1-13-9-15(11-17(20(13)25)23(3,4)5)19(22(27)28)16-10-14(2)21(26)18(12-16)24(6,7)8/h9-12,19,25-26H,1-8H3,(H,27,28)
InChIKeyCXFVCNJVUXTEEB-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.53
Rot. Bonds3

About 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid

2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid (PubChem CID 21455364) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid
PubChem CID21455364
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid
SMILESCc1cc(C(C(=O)O)c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H32O4/c1-13-9-15(11-17(20(13)25)23(3,4)5)19(22(27)28)16-10-14(2)21(26)18(12-16)24(6,7)8/h9-12,19,25-26H,1-8H3,(H,27,28)
InChIKeyCXFVCNJVUXTEEB-UHFFFAOYSA-N
XLogP5.53
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117420045
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 175115619
2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-oxoacetic acid
CID 117344844
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)propyl]-6-methylphenol;2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 160596622
2-[2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]oxyethyl 2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 87082508
2-tert-butyl-4,6-dimethylphenol
CID 87814182
5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid
CID 88714569
3-tert-butyl-4-hydroxy-5-methylbenzamide
CID 139649291
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid
CID 88806863
2-tert-butyl-4-(1-chloro-2-phenylethyl)-6-methylphenol;sulfane
CID 174778853

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid?
The IUPAC name of 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid (CID 21455364) is 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid.
What is the SMILES notation for 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid?
The canonical SMILES for 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid is Cc1cc(C(C(=O)O)c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid?
The InChIKey is CXFVCNJVUXTEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4/c1-13-9-15(11-17(20(13)25)23(3,4)5)19(22(27)28)16-10-14(2)21(26)18(12-16)24(6,7)8/h9-12,19,25-26H,1-8H3,(H,27,28).
What are the key properties of 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid?
2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid has a molecular weight of 384.52 g/mol, XLogP of 5.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 21455364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).