2-(6-methoxynaphthalen-2-yl)propanoic acid

C14H14O3 — CID 1302

IUPAC2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc(C(C)C(=O)O)ccc2c1
InChIInChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
InChIKeyCMWTZPSULFXXJA-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.04
Rot. Bonds3

About 2-(6-methoxynaphthalen-2-yl)propanoic acid

2-(6-methoxynaphthalen-2-yl)propanoic acid (PubChem CID 1302) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)propanoic acid
PubChem CID1302
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc(C(C)C(=O)O)ccc2c1
InChIInChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
InChIKeyCMWTZPSULFXXJA-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)propanoic acid?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)propanoic acid (CID 1302) is 2-(6-methoxynaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)propanoic acid is COc1ccc2cc(C(C)C(=O)O)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)propanoic acid?
The InChIKey is CMWTZPSULFXXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16).
What are the key properties of 2-(6-methoxynaphthalen-2-yl)propanoic acid?
2-(6-methoxynaphthalen-2-yl)propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 1302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).