2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid

C20H18O4 — CID 22685904

IUPAC2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
SMILESCc1ccccc1OCCOc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C20H18O4/c1-14-6-2-5-9-17(14)23-12-13-24-18-11-10-15-7-3-4-8-16(15)19(18)20(21)22/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyZSICZVYEXLZOQF-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.30
Rot. Bonds6

About 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid

2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid (PubChem CID 22685904) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
PubChem CID22685904
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
SMILESCc1ccccc1OCCOc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C20H18O4/c1-14-6-2-5-9-17(14)23-12-13-24-18-11-10-15-7-3-4-8-16(15)19(18)20(21)22/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyZSICZVYEXLZOQF-UHFFFAOYSA-N
XLogP4.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.30
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

2-[2-(2,5-dimethylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 20990513
2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid
CID 43505650
2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
CID 964401
1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
CID 43505649
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]naphthalene-1-carboxylic acid
CID 43505628
2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 90763374
2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylethoxy]naphthalene-1-carboxylic acid
CID 10917562
4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
CID 60651665
2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
CID 104825317
2-[2-(diethylazaniumyl)ethoxy]naphthalene-1-carboxylate
CID 42303258
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid (CID 22685904) is 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid is Cc1ccccc1OCCOc1ccc2ccccc2c1C(=O)O.
What is the InChIKey of 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid?
The InChIKey is ZSICZVYEXLZOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-14-6-2-5-9-17(14)23-12-13-24-18-11-10-15-7-3-4-8-16(15)19(18)20(21)22/h2-11H,12-13H2,1H3,(H,21,22).
What are the key properties of 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid?
2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid is sourced from PubChem (CID 22685904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).