2-(2-acetylnaphthalen-1-yl)acetic acid

C14H12O3 — CID 69135276

IUPAC2-(2-acetylnaphthalen-1-yl)acetic acid
SMILESCC(=O)c1ccc2ccccc2c1CC(=O)O
InChIInChI=1S/C14H12O3/c1-9(15)11-7-6-10-4-2-3-5-12(10)13(11)8-14(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyUUAONIDMAPSWTN-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.67
Rot. Bonds3

About 2-(2-acetylnaphthalen-1-yl)acetic acid

2-(2-acetylnaphthalen-1-yl)acetic acid (PubChem CID 69135276) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(2-acetylnaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-acetylnaphthalen-1-yl)acetic acid
PubChem CID69135276
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2-(2-acetylnaphthalen-1-yl)acetic acid
SMILESCC(=O)c1ccc2ccccc2c1CC(=O)O
InChIInChI=1S/C14H12O3/c1-9(15)11-7-6-10-4-2-3-5-12(10)13(11)8-14(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyUUAONIDMAPSWTN-UHFFFAOYSA-N
XLogP2.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
1-(1-anilinonaphthalen-2-yl)ethanone
CID 12580778
2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride
CID 67842535
acetic acid;chrysene
CID 175201446
2-acridin-9-ylacetic acid
CID 15525099
1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
CID 143253129
1-(1-nitronaphthalen-2-yl)ethanone
CID 167328369
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylnaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(2-acetylnaphthalen-1-yl)acetic acid (CID 69135276) is 2-(2-acetylnaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(2-acetylnaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(2-acetylnaphthalen-1-yl)acetic acid is CC(=O)c1ccc2ccccc2c1CC(=O)O.
What is the InChIKey of 2-(2-acetylnaphthalen-1-yl)acetic acid?
The InChIKey is UUAONIDMAPSWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-9(15)11-7-6-10-4-2-3-5-12(10)13(11)8-14(16)17/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-(2-acetylnaphthalen-1-yl)acetic acid?
2-(2-acetylnaphthalen-1-yl)acetic acid has a molecular weight of 228.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylnaphthalen-1-yl)acetic acid is sourced from PubChem (CID 69135276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).