2-ethyl-2-naphthalen-1-ylbutanoic acid

C16H18O2 — CID 14144

IUPAC2-ethyl-2-naphthalen-1-ylbutanoic acid
SMILESCCC(CC)(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-3-16(4-2,15(17)18)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyNONNPKGLUCHFEW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.98
Rot. Bonds4

About 2-ethyl-2-naphthalen-1-ylbutanoic acid

2-ethyl-2-naphthalen-1-ylbutanoic acid (PubChem CID 14144) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-ethyl-2-naphthalen-1-ylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-2-naphthalen-1-ylbutanoic acid
PubChem CID14144
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-ethyl-2-naphthalen-1-ylbutanoic acid
SMILESCCC(CC)(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-3-16(4-2,15(17)18)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyNONNPKGLUCHFEW-UHFFFAOYSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-naphthalen-1-ylbutanoic acid?
The IUPAC name of 2-ethyl-2-naphthalen-1-ylbutanoic acid (CID 14144) is 2-ethyl-2-naphthalen-1-ylbutanoic acid.
What is the SMILES notation for 2-ethyl-2-naphthalen-1-ylbutanoic acid?
The canonical SMILES for 2-ethyl-2-naphthalen-1-ylbutanoic acid is CCC(CC)(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-ethyl-2-naphthalen-1-ylbutanoic acid?
The InChIKey is NONNPKGLUCHFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-16(4-2,15(17)18)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-2-naphthalen-1-ylbutanoic acid?
2-ethyl-2-naphthalen-1-ylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-naphthalen-1-ylbutanoic acid is sourced from PubChem (CID 14144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).