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

C11H14O3 — CID 118998759

IUPAC2-(3-methoxy-2,5-dimethylphenyl)acetic acid
SMILESCOc1cc(C)cc(CC(=O)O)c1C
InChIInChI=1S/C11H14O3/c1-7-4-9(6-11(12)13)8(2)10(5-7)14-3/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyHGQCEHRSUNUNJK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.94
Rot. Bonds3

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

2-(3-methoxy-2,5-dimethylphenyl)acetic acid (PubChem CID 118998759) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-methoxy-2,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxy-2,5-dimethylphenyl)acetic acid
PubChem CID118998759
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(3-methoxy-2,5-dimethylphenyl)acetic acid
SMILESCOc1cc(C)cc(CC(=O)O)c1C
InChIInChI=1S/C11H14O3/c1-7-4-9(6-11(12)13)8(2)10(5-7)14-3/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyHGQCEHRSUNUNJK-UHFFFAOYSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
CID 13308736
(3-methoxy-2,5-dimethylphenyl)methanamine
CID 119023643
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068
2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid
CID 82575003
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
methyl 2-(2-ethyl-6-methoxy-4-methylphenyl)acetate
CID 59302016
triethoxy-[(3-methoxy-2,5-dimethylphenyl)methyl]silane
CID 59566922
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808
2-[(2,6-dimethoxy-4-methylphenyl)methylamino]acetic acid;ethane
CID 145435875

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-(3-methoxy-2,5-dimethylphenyl)acetic acid (CID 118998759) is 2-(3-methoxy-2,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(3-methoxy-2,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(3-methoxy-2,5-dimethylphenyl)acetic acid is COc1cc(C)cc(CC(=O)O)c1C.
What is the InChIKey of 2-(3-methoxy-2,5-dimethylphenyl)acetic acid?
The InChIKey is HGQCEHRSUNUNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-4-9(6-11(12)13)8(2)10(5-7)14-3/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 2-(3-methoxy-2,5-dimethylphenyl)acetic acid?
2-(3-methoxy-2,5-dimethylphenyl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 118998759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).