2-(3,4-dimethylphenoxy)propanoate

C11H13O3- — CID 4744716

IUPAC2-(3,4-dimethylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)[O-])cc1C
InChIInChI=1S/C11H14O3/c1-7-4-5-10(6-8(7)2)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)/p-1
InChIKeyUIOGKMYERRPYJZ-UHFFFAOYSA-M
MW193.22 g/mol
LogP0.82
Rot. Bonds3

About 2-(3,4-dimethylphenoxy)propanoate

2-(3,4-dimethylphenoxy)propanoate (PubChem CID 4744716) has the molecular formula C11H13O3- and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)propanoate.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)propanoate
PubChem CID4744716
Molecular FormulaC11H13O3-
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-(3,4-dimethylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)[O-])cc1C
InChIInChI=1S/C11H14O3/c1-7-4-5-10(6-8(7)2)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)/p-1
InChIKeyUIOGKMYERRPYJZ-UHFFFAOYSA-M
XLogP0.82
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
(2S)-2-(4-methylphenoxy)propanoate
CID 6988515
2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 43412320
2-(4-chlorophenoxy)propanoate
CID 4556388
2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43412325
2-(4-tert-butylphenoxy)propanoate
CID 71431991
(4-fluorophenyl) (2S)-2-(3,4-dimethylphenoxy)propanoate
CID 891244
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
(4-bromophenyl) (2S)-2-(3,4-dimethylphenoxy)propanoate
CID 889898
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 43412314
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 94843433

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)propanoate?
The IUPAC name of 2-(3,4-dimethylphenoxy)propanoate (CID 4744716) is 2-(3,4-dimethylphenoxy)propanoate.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)propanoate?
The canonical SMILES for 2-(3,4-dimethylphenoxy)propanoate is Cc1ccc(OC(C)C(=O)[O-])cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)propanoate?
The InChIKey is UIOGKMYERRPYJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14O3/c1-7-4-5-10(6-8(7)2)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)/p-1.
What are the key properties of 2-(3,4-dimethylphenoxy)propanoate?
2-(3,4-dimethylphenoxy)propanoate has a molecular weight of 193.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)propanoate is sourced from PubChem (CID 4744716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).