2-(3-methylphenoxy)butanoic acid

C11H14O3 — CID 4778922

IUPAC2-(3-methylphenoxy)butanoic acid
SMILESCCC(Oc1cccc(C)c1)C(=O)O
InChIInChI=1S/C11H14O3/c1-3-10(11(12)13)14-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3,(H,12,13)
InChIKeyIGGVSFFAZIAGTA-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.24
Rot. Bonds4

About 2-(3-methylphenoxy)butanoic acid

2-(3-methylphenoxy)butanoic acid (PubChem CID 4778922) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-methylphenoxy)butanoic acid.

Molecular Properties

Compound Name2-(3-methylphenoxy)butanoic acid
PubChem CID4778922
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(3-methylphenoxy)butanoic acid
SMILESCCC(Oc1cccc(C)c1)C(=O)O
InChIInChI=1S/C11H14O3/c1-3-10(11(12)13)14-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3,(H,12,13)
InChIKeyIGGVSFFAZIAGTA-UHFFFAOYSA-N
XLogP2.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-methylphenoxy)butanedioic acid
CID 141249826
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
3-[(1R)-1-carboxypropoxy]benzoic acid
CID 73424719
(2S)-2-(3-aminophenoxy)butanoic acid
CID 40788014
5-amino-2-(3-methylphenoxy)pentanoic acid
CID 112514325
4-(methylamino)-2-(3-methylphenoxy)butanoic acid
CID 112517898
(E)-but-2-enedioic acid;2-phenoxybutanoic acid
CID 162331423
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide
CID 4929424
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
(2S)-3-(4-iodophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100535647
2-[3-(ethylaminomethyl)phenoxy]butanoic acid
CID 64668910

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)butanoic acid?
The IUPAC name of 2-(3-methylphenoxy)butanoic acid (CID 4778922) is 2-(3-methylphenoxy)butanoic acid.
What is the SMILES notation for 2-(3-methylphenoxy)butanoic acid?
The canonical SMILES for 2-(3-methylphenoxy)butanoic acid is CCC(Oc1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-(3-methylphenoxy)butanoic acid?
The InChIKey is IGGVSFFAZIAGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-10(11(12)13)14-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-methylphenoxy)butanoic acid?
2-(3-methylphenoxy)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)butanoic acid is sourced from PubChem (CID 4778922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).