4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid

C17H18O4 — CID 60651665

IUPAC4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
SMILESCc1ccc(C(=O)O)c(OCCOc2ccccc2C)c1
InChIInChI=1S/C17H18O4/c1-12-7-8-14(17(18)19)16(11-12)21-10-9-20-15-6-4-3-5-13(15)2/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyFEQHGPPXIQDUIH-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.46
Rot. Bonds6

About 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid

4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid (PubChem CID 60651665) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
PubChem CID60651665
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
SMILESCc1ccc(C(=O)O)c(OCCOc2ccccc2C)c1
InChIInChI=1S/C17H18O4/c1-12-7-8-14(17(18)19)16(11-12)21-10-9-20-15-6-4-3-5-13(15)2/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyFEQHGPPXIQDUIH-UHFFFAOYSA-N
XLogP3.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22682108
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
5-methyl-2-[4-(2-methylphenoxy)butylamino]benzoic acid
CID 18802530
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-4-methylbenzoic acid
CID 175656787
2-(4-bromobutoxy)-4-methylbenzoic acid
CID 19039706
2-(3,3-dimethylbutoxy)-4-methylbenzoic acid
CID 61379519
2-(3-ethoxypropoxy)-4-methylbenzoic acid
CID 65176172
4-methyl-2-pent-3-ynoxybenzoic acid
CID 104804076
4-methyl-2-(4,4,4-trifluorobutoxy)benzoic acid
CID 113326212
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
4-methyl-2-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 63892228
2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid
CID 43532238

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid?
The IUPAC name of 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid (CID 60651665) is 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid?
The canonical SMILES for 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid is Cc1ccc(C(=O)O)c(OCCOc2ccccc2C)c1.
What is the InChIKey of 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid?
The InChIKey is FEQHGPPXIQDUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12-7-8-14(17(18)19)16(11-12)21-10-9-20-15-6-4-3-5-13(15)2/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid?
4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 60651665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).