2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid

C26H36O3 — CID 150790890

IUPAC2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C)c1-c1c(O)ccc(C(=O)O)c1C(C)(C)C
InChIInChI=1S/C26H36O3/c1-15-13-16(24(2,3)4)14-18(25(5,6)7)20(15)21-19(27)12-11-17(23(28)29)22(21)26(8,9)10/h11-14,27H,1-10H3,(H,28,29)
InChIKeyKDVFDBFQNCIFDN-UHFFFAOYSA-N
MW396.57 g/mol
LogP6.96
Rot. Bonds2

About 2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid

2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid (PubChem CID 150790890) has the molecular formula C26H36O3 and a molecular weight of 396.57 g/mol. Its IUPAC name is 2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid
PubChem CID150790890
Molecular FormulaC26H36O3
Molecular Weight396.57 g/mol
Exact Mass396.27
IUPAC Name2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C)c1-c1c(O)ccc(C(=O)O)c1C(C)(C)C
InChIInChI=1S/C26H36O3/c1-15-13-16(24(2,3)4)14-18(25(5,6)7)20(15)21-19(27)12-11-17(23(28)29)22(21)26(8,9)10/h11-14,27H,1-10H3,(H,28,29)
InChIKeyKDVFDBFQNCIFDN-UHFFFAOYSA-N
XLogP6.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-ditert-butyl-4-methylbenzoic acid
CID 141044713
3,5-ditert-butyl-4-(2,4-ditert-butylphenyl)-2-hydroxybenzoic acid
CID 87633627
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
2,3-ditert-butylbenzoic acid
CID 19875149
[2-(2,4-ditert-butyl-6-methylphenyl)phenyl] 2-hydroxybenzoate
CID 123496270
2-(2-tert-butyl-3,6-dihydroxyphenyl)benzoic acid
CID 142631283
3-tert-butyl-2-hydroxy-5-methylbenzoic acid
CID 3736139
2-tert-butyl-4-methylbenzene-1,3-dicarboxylic acid;phenol
CID 159453928
5-tert-butyl-2,4-dimethylbenzoic acid
CID 123469469
4-[2-(4-carboxy-3-methylphenyl)propan-2-yl]-2-methylbenzoic acid
CID 67542151
chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)
CID 54696006

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid?
The IUPAC name of 2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid (CID 150790890) is 2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid.
What is the SMILES notation for 2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid?
The canonical SMILES for 2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid is Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1-c1c(O)ccc(C(=O)O)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid?
The InChIKey is KDVFDBFQNCIFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O3/c1-15-13-16(24(2,3)4)14-18(25(5,6)7)20(15)21-19(27)12-11-17(23(28)29)22(21)26(8,9)10/h11-14,27H,1-10H3,(H,28,29).
What are the key properties of 2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid?
2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid has a molecular weight of 396.57 g/mol, XLogP of 6.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(2,4-ditert-butyl-6-methylphenyl)-4-hydroxybenzoic acid is sourced from PubChem (CID 150790890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).