2-(2,4-dimethylphenyl)hexanoic acid

C14H20O2 — CID 69334667

IUPAC2-(2,4-dimethylphenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1ccc(C)cc1C
InChIInChI=1S/C14H20O2/c1-4-5-6-13(14(15)16)12-8-7-10(2)9-11(12)3/h7-9,13H,4-6H2,1-3H3,(H,15,16)
InChIKeyLVHALIBZNJIHAM-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.66
Rot. Bonds5

About 2-(2,4-dimethylphenyl)hexanoic acid

2-(2,4-dimethylphenyl)hexanoic acid (PubChem CID 69334667) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)hexanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)hexanoic acid
PubChem CID69334667
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2,4-dimethylphenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1ccc(C)cc1C
InChIInChI=1S/C14H20O2/c1-4-5-6-13(14(15)16)12-8-7-10(2)9-11(12)3/h7-9,13H,4-6H2,1-3H3,(H,15,16)
InChIKeyLVHALIBZNJIHAM-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluoro-4-methylphenyl)hexanoic acid
CID 107514223
3-(4-butoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83951936
2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid
CID 103434197
1-(1-chloropentyl)-2,4-dimethylbenzene
CID 63430265
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808
2-(2,6-dimethylphenyl)hexanoic acid
CID 66815407
2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 83955681
2-(2,4-dimethylanilino)hexanoic acid
CID 103230729
4-[2-carboxy-2-(2,4-dimethylphenyl)ethyl]benzoic acid
CID 83955770
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
CID 106681199
methyl 2-(2,4-dimethylphenyl)butanoate
CID 62802002

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)hexanoic acid?
The IUPAC name of 2-(2,4-dimethylphenyl)hexanoic acid (CID 69334667) is 2-(2,4-dimethylphenyl)hexanoic acid.
What is the SMILES notation for 2-(2,4-dimethylphenyl)hexanoic acid?
The canonical SMILES for 2-(2,4-dimethylphenyl)hexanoic acid is CCCCC(C(=O)O)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)hexanoic acid?
The InChIKey is LVHALIBZNJIHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-5-6-13(14(15)16)12-8-7-10(2)9-11(12)3/h7-9,13H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,4-dimethylphenyl)hexanoic acid?
2-(2,4-dimethylphenyl)hexanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)hexanoic acid is sourced from PubChem (CID 69334667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).