4-(2-methoxyethoxy)-3-methylbenzoic acid

C11H14O4 — CID 58551370

IUPAC4-(2-methoxyethoxy)-3-methylbenzoic acid
SMILESCOCCOc1ccc(C(=O)O)cc1C
InChIInChI=1S/C11H14O4/c1-8-7-9(11(12)13)3-4-10(8)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyBRMOOSPZBMIBBJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.72
Rot. Bonds5

About 4-(2-methoxyethoxy)-3-methylbenzoic acid

4-(2-methoxyethoxy)-3-methylbenzoic acid (PubChem CID 58551370) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-3-methylbenzoic acid
PubChem CID58551370
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-(2-methoxyethoxy)-3-methylbenzoic acid
SMILESCOCCOc1ccc(C(=O)O)cc1C
InChIInChI=1S/C11H14O4/c1-8-7-9(11(12)13)3-4-10(8)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyBRMOOSPZBMIBBJ-UHFFFAOYSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
4-(2-fluoroethoxy)-3-methylbenzoic acid
CID 107673859
4-[3-(dimethylamino)propoxy]-3-methylbenzoic acid
CID 62702605
4-(3-hydroxy-3-methylbutoxy)-3-methylbenzoic acid
CID 107673552
4-[2-(2-chlorophenoxy)ethoxy]-3-methylbenzoic acid
CID 107673991
4-[2-(2-fluorophenoxy)ethoxy]-3-methylbenzoic acid
CID 104651443
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
4-but-3-ynoxy-3-methylbenzoic acid
CID 106794680
4-[2-(2-methoxyethoxy)phenyl]-3-methylbenzoic acid
CID 104660748
3-methyl-4-(3-phenylpropoxy)benzoic acid
CID 62703449
3-[2-(3-methoxypropoxy)ethoxy]-4-methylbenzoic acid
CID 103177358
4-(2-tert-butylsulfonylethoxy)-3-methylbenzoic acid
CID 107673941

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-3-methylbenzoic acid?
The IUPAC name of 4-(2-methoxyethoxy)-3-methylbenzoic acid (CID 58551370) is 4-(2-methoxyethoxy)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2-methoxyethoxy)-3-methylbenzoic acid?
The canonical SMILES for 4-(2-methoxyethoxy)-3-methylbenzoic acid is COCCOc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-(2-methoxyethoxy)-3-methylbenzoic acid?
The InChIKey is BRMOOSPZBMIBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8-7-9(11(12)13)3-4-10(8)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methoxyethoxy)-3-methylbenzoic acid?
4-(2-methoxyethoxy)-3-methylbenzoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-3-methylbenzoic acid is sourced from PubChem (CID 58551370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).