4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid

C15H16O4 — CID 82372344

IUPAC4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid
SMILESCOCCOc1cc(C(=O)O)cc2ccc(C)cc12
InChIInChI=1S/C15H16O4/c1-10-3-4-11-8-12(15(16)17)9-14(13(11)7-10)19-6-5-18-2/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)
InChIKeyAKOSKUYHURANBH-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.87
Rot. Bonds5

About 4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid

4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid (PubChem CID 82372344) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid
PubChem CID82372344
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid
SMILESCOCCOc1cc(C(=O)O)cc2ccc(C)cc12
InChIInChI=1S/C15H16O4/c1-10-3-4-11-8-12(15(16)17)9-14(13(11)7-10)19-6-5-18-2/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)
InChIKeyAKOSKUYHURANBH-UHFFFAOYSA-N
XLogP2.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.87
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

6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid
CID 82372358
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
2-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 122585497
2-(2-methoxyethoxy)-5-methylphenol
CID 89108915
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
2-[2-(2-methoxyethoxy)phenyl]-5-methylbenzoic acid
CID 104660750
4-(3-methoxypropoxy)quinoline-2-carboxylic acid
CID 55184879
4-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22681502
3-bromo-5-ethoxy-4-(2-methoxyethoxy)benzoic acid
CID 43627109
4-cyanatonaphthalene-2,6-dicarboxylic acid
CID 139964498
4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
3-(2-methoxyethoxy)-4-methylsulfanylbenzoic acid
CID 23204630

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid?
The IUPAC name of 4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid (CID 82372344) is 4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid is COCCOc1cc(C(=O)O)cc2ccc(C)cc12.
What is the InChIKey of 4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid?
The InChIKey is AKOSKUYHURANBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10-3-4-11-8-12(15(16)17)9-14(13(11)7-10)19-6-5-18-2/h3-4,7-9H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid?
4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-6-methylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 82372344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).