1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid

C14H14O5 — CID 23464074

IUPAC1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid
SMILESCOCCOc1cc(C(=O)O)c(O)c2ccccc12
InChIInChI=1S/C14H14O5/c1-18-6-7-19-12-8-11(14(16)17)13(15)10-5-3-2-4-9(10)12/h2-5,8,15H,6-7H2,1H3,(H,16,17)
InChIKeySUNGWQMBISIWJS-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.27
Rot. Bonds5

About 1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid

1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid (PubChem CID 23464074) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid
PubChem CID23464074
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid
SMILESCOCCOc1cc(C(=O)O)c(O)c2ccccc12
InChIInChI=1S/C14H14O5/c1-18-6-7-19-12-8-11(14(16)17)13(15)10-5-3-2-4-9(10)12/h2-5,8,15H,6-7H2,1H3,(H,16,17)
InChIKeySUNGWQMBISIWJS-UHFFFAOYSA-N
XLogP2.27
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid
CID 54339362
1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 3023257
1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
CID 174552806
1-bromo-4-pentoxynaphthalene-2-carboxylic acid
CID 19363375
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
2-bromo-1-(1-hydroxy-4-methoxynaphthalen-2-yl)ethanone
CID 156502988
2-[2-[3-(3-dodecoxypropylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxyethoxy]acetic acid
CID 59079335
2-[2-(2-methoxyethoxy)phenyl]-5-methylbenzoic acid
CID 104660750
4-(3-methoxypropoxy)quinoline-2-carboxylic acid
CID 55184879
1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid
CID 80528186
[4-(2-methoxyethoxy)quinolin-2-yl]methanol
CID 63376021
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid (CID 23464074) is 1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid is COCCOc1cc(C(=O)O)c(O)c2ccccc12.
What is the InChIKey of 1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid?
The InChIKey is SUNGWQMBISIWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-18-6-7-19-12-8-11(14(16)17)13(15)10-5-3-2-4-9(10)12/h2-5,8,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid?
1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 23464074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).