2-(2,6-dimethylphenyl)hexanoic acid

C14H20O2 — CID 66815407

IUPAC2-(2,6-dimethylphenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1c(C)cccc1C
InChIInChI=1S/C14H20O2/c1-4-5-9-12(14(15)16)13-10(2)7-6-8-11(13)3/h6-8,12H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyKJJSHKWARQAMOS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.66
Rot. Bonds5

About 2-(2,6-dimethylphenyl)hexanoic acid

2-(2,6-dimethylphenyl)hexanoic acid (PubChem CID 66815407) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)hexanoic acid.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)hexanoic acid
PubChem CID66815407
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2,6-dimethylphenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1c(C)cccc1C
InChIInChI=1S/C14H20O2/c1-4-5-9-12(14(15)16)13-10(2)7-6-8-11(13)3/h6-8,12H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyKJJSHKWARQAMOS-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-chloro-6-fluorophenyl)hexanoic acid
CID 175420483
2-(2-amino-3-methylphenyl)decanoic acid
CID 106987425
2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
CID 106681199
2-(2,3-difluoro-4-methylphenyl)hexanoic acid
CID 107514223
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
2-[(2S)-2-(2,6-dimethylphenyl)heptan-3-yl]-1,3-dimethylbenzene
CID 159901603
2-[2-(1-carboxy-5-methylhexyl)-3-heptylphenyl]-6-methylheptanoic acid
CID 151851049
2-[10-(1-carboxybutyl)anthracen-9-yl]pentanoic acid
CID 151443637
2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid
CID 103434197
pyrene;2-pyridin-4-ylhexanoic acid
CID 175281888
2-(2-phosphonophenyl)hexanoic acid
CID 66706013
2-naphthalen-1-yldodecanoic acid
CID 23333439

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)hexanoic acid?
The IUPAC name of 2-(2,6-dimethylphenyl)hexanoic acid (CID 66815407) is 2-(2,6-dimethylphenyl)hexanoic acid.
What is the SMILES notation for 2-(2,6-dimethylphenyl)hexanoic acid?
The canonical SMILES for 2-(2,6-dimethylphenyl)hexanoic acid is CCCCC(C(=O)O)c1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)hexanoic acid?
The InChIKey is KJJSHKWARQAMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-5-9-12(14(15)16)13-10(2)7-6-8-11(13)3/h6-8,12H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,6-dimethylphenyl)hexanoic acid?
2-(2,6-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-(2,6-dimethylphenyl)hexanoic acid is sourced from PubChem (CID 66815407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).