2-(3,4-dimethylphenoxy)-2-methylpentanoic acid

C14H20O3 — CID 114992362

IUPAC2-(3,4-dimethylphenoxy)-2-methylpentanoic acid
SMILESCCCC(C)(Oc1ccc(C)c(C)c1)C(=O)O
InChIInChI=1S/C14H20O3/c1-5-8-14(4,13(15)16)17-12-7-6-10(2)11(3)9-12/h6-7,9H,5,8H2,1-4H3,(H,15,16)
InChIKeyOJGKIUUJDWRFHF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.33
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-2-methylpentanoic acid

2-(3,4-dimethylphenoxy)-2-methylpentanoic acid (PubChem CID 114992362) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-2-methylpentanoic acid
PubChem CID114992362
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(3,4-dimethylphenoxy)-2-methylpentanoic acid
SMILESCCCC(C)(Oc1ccc(C)c(C)c1)C(=O)O
InChIInChI=1S/C14H20O3/c1-5-8-14(4,13(15)16)17-12-7-6-10(2)11(3)9-12/h6-7,9H,5,8H2,1-4H3,(H,15,16)
InChIKeyOJGKIUUJDWRFHF-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[4-(methylaminomethyl)phenoxy]pentanoic acid
CID 69141990
6-(3,4-dimethylphenoxy)-2,2-dimethylhexanoic acid
CID 106714252
2-[(3,4-dimethylphenyl)methyl]-2-methylpentanoic acid
CID 62739730
2-(4-ethylphenoxy)-2-methyloctanoic acid
CID 175308867
2-(3,4-dimethylanilino)-2-methylpentanoic acid
CID 71564825
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
2-(4-carbamoylphenoxy)-2-methylbutanoic acid
CID 114990324
3-(3,4-dimethylphenoxy)-3-methylbutan-1-amine
CID 82077565
4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid
CID 68841412
2-methyl-2-[4-[3-(4-phenylphenyl)but-2-enoxy]phenoxy]pentanoic acid
CID 69474931
2-(3-methoxyphenoxy)-2-methylbutanoic acid
CID 114987502
(2S)-2-(4-benzylphenoxy)-2-methylpentanamide
CID 92967593

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-2-methylpentanoic acid?
The IUPAC name of 2-(3,4-dimethylphenoxy)-2-methylpentanoic acid (CID 114992362) is 2-(3,4-dimethylphenoxy)-2-methylpentanoic acid.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-2-methylpentanoic acid?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-2-methylpentanoic acid is CCCC(C)(Oc1ccc(C)c(C)c1)C(=O)O.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-2-methylpentanoic acid?
The InChIKey is OJGKIUUJDWRFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-8-14(4,13(15)16)17-12-7-6-10(2)11(3)9-12/h6-7,9H,5,8H2,1-4H3,(H,15,16).
What are the key properties of 2-(3,4-dimethylphenoxy)-2-methylpentanoic acid?
2-(3,4-dimethylphenoxy)-2-methylpentanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-2-methylpentanoic acid is sourced from PubChem (CID 114992362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).