3,5-diethyl-2,4,6-trimethylbenzoic acid

C14H20O2 — CID 58163461

IUPAC3,5-diethyl-2,4,6-trimethylbenzoic acid
SMILESCCc1c(C)c(CC)c(C)c(C(=O)O)c1C
InChIInChI=1S/C14H20O2/c1-6-11-8(3)12(7-2)10(5)13(9(11)4)14(15)16/h6-7H2,1-5H3,(H,15,16)
InChIKeyYYUSSABUOJBGDT-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.43
Rot. Bonds3

About 3,5-diethyl-2,4,6-trimethylbenzoic acid

3,5-diethyl-2,4,6-trimethylbenzoic acid (PubChem CID 58163461) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3,5-diethyl-2,4,6-trimethylbenzoic acid.

Molecular Properties

Compound Name3,5-diethyl-2,4,6-trimethylbenzoic acid
PubChem CID58163461
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3,5-diethyl-2,4,6-trimethylbenzoic acid
SMILESCCc1c(C)c(CC)c(C)c(C(=O)O)c1C
InChIInChI=1S/C14H20O2/c1-6-11-8(3)12(7-2)10(5)13(9(11)4)14(15)16/h6-7H2,1-5H3,(H,15,16)
InChIKeyYYUSSABUOJBGDT-UHFFFAOYSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2,5-dimethylfuran-3-carboxylic acid
CID 57021055
(3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone
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3,5-diethyl-4-methylphthalic acid
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3-ethyl-2,4,5-trimethylbenzoic acid
CID 175228961
2-ethyl-4-methylbenzene-1,3-dicarboxylic acid
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CID 174441967
CID 174441967
1,4-diethylnaphthalene-2,3-dicarboxylic acid
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hexanedioic acid;2,3,5,6-tetramethylterephthalic acid
CID 175926564
1,4-diethyl-5-methylpyrrole-2,3-dicarboxylic acid
CID 53428348
2-carbamoyl-4,5-diethyl-3,6-difluorobenzoic acid
CID 87955997
3-ethyl-2,5,6-trimethyl-4-(3,4,6-trimethyl-2-propylbenzoyl)oxybenzoic acid
CID 177152584
3,5-dichloro-2,4,6-trimethylbenzoic acid
CID 82645725

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2,4,6-trimethylbenzoic acid?
The IUPAC name of 3,5-diethyl-2,4,6-trimethylbenzoic acid (CID 58163461) is 3,5-diethyl-2,4,6-trimethylbenzoic acid.
What is the SMILES notation for 3,5-diethyl-2,4,6-trimethylbenzoic acid?
The canonical SMILES for 3,5-diethyl-2,4,6-trimethylbenzoic acid is CCc1c(C)c(CC)c(C)c(C(=O)O)c1C.
What is the InChIKey of 3,5-diethyl-2,4,6-trimethylbenzoic acid?
The InChIKey is YYUSSABUOJBGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-6-11-8(3)12(7-2)10(5)13(9(11)4)14(15)16/h6-7H2,1-5H3,(H,15,16).
What are the key properties of 3,5-diethyl-2,4,6-trimethylbenzoic acid?
3,5-diethyl-2,4,6-trimethylbenzoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2,4,6-trimethylbenzoic acid is sourced from PubChem (CID 58163461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).