6-tert-butyl-2,3,4-trimethylbenzoic acid

C14H20O2 — CID 59060884

IUPAC6-tert-butyl-2,3,4-trimethylbenzoic acid
SMILESCc1cc(C(C)(C)C)c(C(=O)O)c(C)c1C
InChIInChI=1S/C14H20O2/c1-8-7-11(14(4,5)6)12(13(15)16)10(3)9(8)2/h7H,1-6H3,(H,15,16)
InChIKeyGUDHPRRLMFHOKP-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.61
Rot. Bonds1

About 6-tert-butyl-2,3,4-trimethylbenzoic acid

6-tert-butyl-2,3,4-trimethylbenzoic acid (PubChem CID 59060884) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-tert-butyl-2,3,4-trimethylbenzoic acid.

Molecular Properties

Compound Name6-tert-butyl-2,3,4-trimethylbenzoic acid
PubChem CID59060884
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-tert-butyl-2,3,4-trimethylbenzoic acid
SMILESCc1cc(C(C)(C)C)c(C(=O)O)c(C)c1C
InChIInChI=1S/C14H20O2/c1-8-7-11(14(4,5)6)12(13(15)16)10(3)9(8)2/h7H,1-6H3,(H,15,16)
InChIKeyGUDHPRRLMFHOKP-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-6-hydroxy-2-methylbenzoic acid
CID 154313774
5-acetyl-3-tert-butyl-2-hydroxy-6-methylbenzoic acid
CID 21434135
5-tert-butyl-2,4-dimethylbenzoic acid
CID 123469469
3-tert-butyl-2,5,6-trihydroxybenzoic acid
CID 130287013
2-hydroxy-3,5,6-trimethylbenzoic acid
CID 23352517
4-(2-hydroxypropan-2-yl)-2,6-dimethylbenzoic acid
CID 169285899
5-tert-butyl-4-chloro-2-hydroxy-3-methylbenzoic acid
CID 22945013
6-tert-butyl-2,3,4-trimethylphenol;2,6-ditert-butyl-4-methylphenol;methane
CID 159742273
CID 101190839
CID 101190839
2,6-ditert-butyl-4-propanoyloxybenzoic acid
CID 174389160
benzoic acid;4-tert-butyl-6-methylbenzene-1,3-diol
CID 174980264
3-tert-butyl-2-hydroxy-6-methyl-5-(2-methylpentan-2-yl)benzoic acid
CID 19822805

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3,4-trimethylbenzoic acid?
The IUPAC name of 6-tert-butyl-2,3,4-trimethylbenzoic acid (CID 59060884) is 6-tert-butyl-2,3,4-trimethylbenzoic acid.
What is the SMILES notation for 6-tert-butyl-2,3,4-trimethylbenzoic acid?
The canonical SMILES for 6-tert-butyl-2,3,4-trimethylbenzoic acid is Cc1cc(C(C)(C)C)c(C(=O)O)c(C)c1C.
What is the InChIKey of 6-tert-butyl-2,3,4-trimethylbenzoic acid?
The InChIKey is GUDHPRRLMFHOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-8-7-11(14(4,5)6)12(13(15)16)10(3)9(8)2/h7H,1-6H3,(H,15,16).
What are the key properties of 6-tert-butyl-2,3,4-trimethylbenzoic acid?
6-tert-butyl-2,3,4-trimethylbenzoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3,4-trimethylbenzoic acid is sourced from PubChem (CID 59060884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).