1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid

C20H18O5 — CID 54339362

IUPAC1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid
SMILESCc1ccc(OCCOc2cc(C(=O)O)c(O)c3ccccc23)cc1
InChIInChI=1S/C20H18O5/c1-13-6-8-14(9-7-13)24-10-11-25-18-12-17(20(22)23)19(21)16-5-3-2-4-15(16)18/h2-9,12,21H,10-11H2,1H3,(H,22,23)
InChIKeyTXVHJXGWECUMNH-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.01
Rot. Bonds6

About 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid

1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid (PubChem CID 54339362) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid
PubChem CID54339362
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid
SMILESCc1ccc(OCCOc2cc(C(=O)O)c(O)c3ccccc23)cc1
InChIInChI=1S/C20H18O5/c1-13-6-8-14(9-7-13)24-10-11-25-18-12-17(20(22)23)19(21)16-5-3-2-4-15(16)18/h2-9,12,21H,10-11H2,1H3,(H,22,23)
InChIKeyTXVHJXGWECUMNH-UHFFFAOYSA-N
XLogP4.01
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic 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

1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid
CID 23464074
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
3-methoxy-2-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 20991667
2-methyl-5-(2-phenoxyethoxy)benzoic acid
CID 59058014
4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
CID 60651665
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid
CID 136679288
2-[2-(4-methylphenoxy)ethoxy]benzenecarbothioamide
CID 20990101
2-phenoxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 4650787
3-bromo-5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 20993634
4-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22681502

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid (CID 54339362) is 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid is Cc1ccc(OCCOc2cc(C(=O)O)c(O)c3ccccc23)cc1.
What is the InChIKey of 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid?
The InChIKey is TXVHJXGWECUMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-13-6-8-14(9-7-13)24-10-11-25-18-12-17(20(22)23)19(21)16-5-3-2-4-15(16)18/h2-9,12,21H,10-11H2,1H3,(H,22,23).
What are the key properties of 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid?
1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 54339362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).