2-(3-butyl-2,6-dimethylphenoxy)acetic acid

C14H20O3 — CID 142823771

IUPAC2-(3-butyl-2,6-dimethylphenoxy)acetic acid
SMILESCCCCc1ccc(C)c(OCC(=O)O)c1C
InChIInChI=1S/C14H20O3/c1-4-5-6-12-8-7-10(2)14(11(12)3)17-9-13(15)16/h7-8H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyZEYTZFINIMDRIF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.11
Rot. Bonds6

About 2-(3-butyl-2,6-dimethylphenoxy)acetic acid

2-(3-butyl-2,6-dimethylphenoxy)acetic acid (PubChem CID 142823771) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-butyl-2,6-dimethylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-butyl-2,6-dimethylphenoxy)acetic acid
PubChem CID142823771
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(3-butyl-2,6-dimethylphenoxy)acetic acid
SMILESCCCCc1ccc(C)c(OCC(=O)O)c1C
InChIInChI=1S/C14H20O3/c1-4-5-6-12-8-7-10(2)14(11(12)3)17-9-13(15)16/h7-8H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyZEYTZFINIMDRIF-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butyl-2,3-dimethylphenyl) hydrogen carbonate
CID 67178499
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
2-(2,3-dimethyl-6-prop-2-enylphenoxy)acetic acid
CID 54849806
2-(2-dodecylphenoxy)acetic acid
CID 572415
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
2-[2-butyl-4-(4-hydroxy-2,6-dimethylbenzoyl)-6-propan-2-ylphenoxy]acetic acid
CID 54071426
(2,3,4-tributylphenyl) (2,3,4-trimethylphenyl) carbonate
CID 67180491
3-methyl-1-(2,3,6-trimethylphenoxy)butan-2-one
CID 79395306
methyl 2-(2-methyl-5-pentylnaphthalen-1-yl)oxyacetate
CID 86089008
1,3-dibutyl-6-methylindole-7-carboxylic acid
CID 83946379
2,6-dimethyl-3-pentylphenol
CID 22762210
2-(4-butyl-2-methylphenyl)acetic acid
CID 154171970

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,6-dimethylphenoxy)acetic acid?
The IUPAC name of 2-(3-butyl-2,6-dimethylphenoxy)acetic acid (CID 142823771) is 2-(3-butyl-2,6-dimethylphenoxy)acetic acid.
What is the SMILES notation for 2-(3-butyl-2,6-dimethylphenoxy)acetic acid?
The canonical SMILES for 2-(3-butyl-2,6-dimethylphenoxy)acetic acid is CCCCc1ccc(C)c(OCC(=O)O)c1C.
What is the InChIKey of 2-(3-butyl-2,6-dimethylphenoxy)acetic acid?
The InChIKey is ZEYTZFINIMDRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-5-6-12-8-7-10(2)14(11(12)3)17-9-13(15)16/h7-8H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-butyl-2,6-dimethylphenoxy)acetic acid?
2-(3-butyl-2,6-dimethylphenoxy)acetic acid has a molecular weight of 236.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,6-dimethylphenoxy)acetic acid is sourced from PubChem (CID 142823771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).