3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid

C22H22O5 — CID 22681770

IUPAC3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid
SMILESCOc1ccccc1OCCOc1ccc2ccccc2c1CCC(=O)O
InChIInChI=1S/C22H22O5/c1-25-20-8-4-5-9-21(20)27-15-14-26-19-12-10-16-6-2-3-7-17(16)18(19)11-13-22(23)24/h2-10,12H,11,13-15H2,1H3,(H,23,24)
InChIKeyNCZRIDIAKQQTJO-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.32
Rot. Bonds9

About 3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid

3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid (PubChem CID 22681770) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid
PubChem CID22681770
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid
SMILESCOc1ccccc1OCCOc1ccc2ccccc2c1CCC(=O)O
InChIInChI=1S/C22H22O5/c1-25-20-8-4-5-9-21(20)27-15-14-26-19-12-10-16-6-2-3-7-17(16)18(19)11-13-22(23)24/h2-10,12H,11,13-15H2,1H3,(H,23,24)
InChIKeyNCZRIDIAKQQTJO-UHFFFAOYSA-N
XLogP4.32
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
3-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]naphthalen-1-yl]propanoic acid
CID 22683302
3-[2-[2-(4-chloro-3-methylphenoxy)ethoxy]naphthalen-1-yl]propanoic acid
CID 22685443
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
2-[3-(2-methoxynaphthalen-1-yl)propanoylamino]propanedioic acid
CID 67611600
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
4-oxo-4-[[2-(2-phenoxyethoxy)naphthalen-1-yl]methylamino]butanoic acid
CID 22687298
2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid
CID 43505650
2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 20994075
5-[3-methoxy-4-(2-methoxybenzoyl)-2-propylphenoxy]pentanoic acid
CID 54012758
2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate
CID 166589868
3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22683637

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid?
The IUPAC name of 3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid (CID 22681770) is 3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid?
The canonical SMILES for 3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid is COc1ccccc1OCCOc1ccc2ccccc2c1CCC(=O)O.
What is the InChIKey of 3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid?
The InChIKey is NCZRIDIAKQQTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c1-25-20-8-4-5-9-21(20)27-15-14-26-19-12-10-16-6-2-3-7-17(16)18(19)11-13-22(23)24/h2-10,12H,11,13-15H2,1H3,(H,23,24).
What are the key properties of 3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid?
3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid has a molecular weight of 366.41 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid is sourced from PubChem (CID 22681770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).