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

C14H14O3 — CID 9149887

IUPAC3-(2-methoxynaphthalen-1-yl)propanoic acid
SMILESCOc1ccc2ccccc2c1CCC(=O)O
InChIInChI=1S/C14H14O3/c1-17-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKeyAUVKOEHVYGYIKP-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.87
Rot. Bonds4

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

3-(2-methoxynaphthalen-1-yl)propanoic acid (PubChem CID 9149887) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)propanoic acid
PubChem CID9149887
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name3-(2-methoxynaphthalen-1-yl)propanoic acid
SMILESCOc1ccc2ccccc2c1CCC(=O)O
InChIInChI=1S/C14H14O3/c1-17-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKeyAUVKOEHVYGYIKP-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)propanoic acid?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)propanoic acid (CID 9149887) is 3-(2-methoxynaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)propanoic acid?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)propanoic acid is COc1ccc2ccccc2c1CCC(=O)O.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)propanoic acid?
The InChIKey is AUVKOEHVYGYIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-17-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16).
What are the key properties of 3-(2-methoxynaphthalen-1-yl)propanoic acid?
3-(2-methoxynaphthalen-1-yl)propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 9149887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).