2-naphthalen-2-ylbutanoic acid

C14H14O2 — CID 27266

IUPAC2-naphthalen-2-ylbutanoic acid
SMILESCCC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O2/c1-2-13(14(15)16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3,(H,15,16)
InChIKeyBKYOHEHDQWPGOY-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.42
Rot. Bonds3

About 2-naphthalen-2-ylbutanoic acid

2-naphthalen-2-ylbutanoic acid (PubChem CID 27266) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-naphthalen-2-ylbutanoic acid.

Molecular Properties

Compound Name2-naphthalen-2-ylbutanoic acid
PubChem CID27266
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-naphthalen-2-ylbutanoic acid
SMILESCCC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O2/c1-2-13(14(15)16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3,(H,15,16)
InChIKeyBKYOHEHDQWPGOY-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-naphthalen-2-ylpentanoic acid
CID 54477032
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
2-(4-benzoylphenyl)butanoic acid
CID 22621594
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-(3-sulfanylphenyl)butanoic acid
CID 22341621
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
2-(3-(125I)iodophenyl)butanoic acid
CID 13147476
[(1R)-1-naphthalen-2-ylpropyl] acetate
CID 58079221
2-(3-fluoro-4-propan-2-ylphenyl)butanoic acid
CID 84789733
2-(3-amino-4-methylphenyl)butanoic acid
CID 130134794

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylbutanoic acid?
The IUPAC name of 2-naphthalen-2-ylbutanoic acid (CID 27266) is 2-naphthalen-2-ylbutanoic acid.
What is the SMILES notation for 2-naphthalen-2-ylbutanoic acid?
The canonical SMILES for 2-naphthalen-2-ylbutanoic acid is CCC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylbutanoic acid?
The InChIKey is BKYOHEHDQWPGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-13(14(15)16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3,(H,15,16).
What are the key properties of 2-naphthalen-2-ylbutanoic acid?
2-naphthalen-2-ylbutanoic acid has a molecular weight of 214.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylbutanoic acid is sourced from PubChem (CID 27266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).