1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid

C15H16O5 — CID 68977043

IUPAC1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid
SMILESCOCCOCOc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C15H16O5/c1-18-8-9-19-10-20-14-12-5-3-2-4-11(12)6-7-13(14)15(16)17/h2-7H,8-10H2,1H3,(H,16,17)
InChIKeyOQDFZSZXBNOQOX-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.54
Rot. Bonds7

About 1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid

1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid (PubChem CID 68977043) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid
PubChem CID68977043
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid
SMILESCOCCOCOc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C15H16O5/c1-18-8-9-19-10-20-14-12-5-3-2-4-11(12)6-7-13(14)15(16)17/h2-7H,8-10H2,1H3,(H,16,17)
InChIKeyOQDFZSZXBNOQOX-UHFFFAOYSA-N
XLogP2.54
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-dimethylbutoxy)naphthalene-2-carboxylic acid
CID 63464162
1-(2-methylsulfonylethoxy)naphthalene-2-carboxylic acid
CID 60693277
1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid
CID 61379131
1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702048
1-pent-3-ynoxynaphthalene-2-carboxylic acid
CID 113455142
1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid
CID 62034235
(3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone
CID 11729623
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid
CID 60682901
3-(ethoxymethoxy)-4-iodonaphthalene-2-carboxylic acid
CID 176641560
1-pyridin-2-yloxynaphthalene-2-carboxylic acid
CID 61396185
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid (CID 68977043) is 1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid is COCCOCOc1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid?
The InChIKey is OQDFZSZXBNOQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-18-8-9-19-10-20-14-12-5-3-2-4-11(12)6-7-13(14)15(16)17/h2-7H,8-10H2,1H3,(H,16,17).
What are the key properties of 1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid?
1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 68977043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).