2-(2-methoxy-3,5-dimethylphenoxy)acetic acid

C11H14O4 — CID 84677573

IUPAC2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
SMILESCOc1c(C)cc(C)cc1OCC(=O)O
InChIInChI=1S/C11H14O4/c1-7-4-8(2)11(14-3)9(5-7)15-6-10(12)13/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyNUNJPNDNLZFNKF-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.78
Rot. Bonds4

About 2-(2-methoxy-3,5-dimethylphenoxy)acetic acid

2-(2-methoxy-3,5-dimethylphenoxy)acetic acid (PubChem CID 84677573) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2-methoxy-3,5-dimethylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
PubChem CID84677573
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
SMILESCOc1c(C)cc(C)cc1OCC(=O)O
InChIInChI=1S/C11H14O4/c1-7-4-8(2)11(14-3)9(5-7)15-6-10(12)13/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyNUNJPNDNLZFNKF-UHFFFAOYSA-N
XLogP1.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
CID 172907938
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid
CID 101351133
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid
CID 112514986
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid
CID 53264216
2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid
CID 84693979
2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid
CID 99976230

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,5-dimethylphenoxy)acetic acid?
The IUPAC name of 2-(2-methoxy-3,5-dimethylphenoxy)acetic acid (CID 84677573) is 2-(2-methoxy-3,5-dimethylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-methoxy-3,5-dimethylphenoxy)acetic acid?
The canonical SMILES for 2-(2-methoxy-3,5-dimethylphenoxy)acetic acid is COc1c(C)cc(C)cc1OCC(=O)O.
What is the InChIKey of 2-(2-methoxy-3,5-dimethylphenoxy)acetic acid?
The InChIKey is NUNJPNDNLZFNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-4-8(2)11(14-3)9(5-7)15-6-10(12)13/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-methoxy-3,5-dimethylphenoxy)acetic acid?
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,5-dimethylphenoxy)acetic acid is sourced from PubChem (CID 84677573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).