3-(2-ethoxynaphthalen-1-yl)propanoic acid

C15H16O3 — CID 9149906

IUPAC3-(2-ethoxynaphthalen-1-yl)propanoic acid
SMILESCCOc1ccc2ccccc2c1CCC(=O)O
InChIInChI=1S/C15H16O3/c1-2-18-14-9-7-11-5-3-4-6-12(11)13(14)8-10-15(16)17/h3-7,9H,2,8,10H2,1H3,(H,16,17)
InChIKeyAHLUDXKRJIOYOP-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.26
Rot. Bonds5

About 3-(2-ethoxynaphthalen-1-yl)propanoic acid

3-(2-ethoxynaphthalen-1-yl)propanoic acid (PubChem CID 9149906) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(2-ethoxynaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethoxynaphthalen-1-yl)propanoic acid
PubChem CID9149906
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name3-(2-ethoxynaphthalen-1-yl)propanoic acid
SMILESCCOc1ccc2ccccc2c1CCC(=O)O
InChIInChI=1S/C15H16O3/c1-2-18-14-9-7-11-5-3-4-6-12(11)13(14)8-10-15(16)17/h3-7,9H,2,8,10H2,1H3,(H,16,17)
InChIKeyAHLUDXKRJIOYOP-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxynaphthalen-1-yl)propanoic acid?
The IUPAC name of 3-(2-ethoxynaphthalen-1-yl)propanoic acid (CID 9149906) is 3-(2-ethoxynaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-ethoxynaphthalen-1-yl)propanoic acid?
The canonical SMILES for 3-(2-ethoxynaphthalen-1-yl)propanoic acid is CCOc1ccc2ccccc2c1CCC(=O)O.
What is the InChIKey of 3-(2-ethoxynaphthalen-1-yl)propanoic acid?
The InChIKey is AHLUDXKRJIOYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-18-14-9-7-11-5-3-4-6-12(11)13(14)8-10-15(16)17/h3-7,9H,2,8,10H2,1H3,(H,16,17).
What are the key properties of 3-(2-ethoxynaphthalen-1-yl)propanoic acid?
3-(2-ethoxynaphthalen-1-yl)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxynaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 9149906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).