2-(4-propanoylnaphthalen-1-yl)oxyacetic acid

C15H14O4 — CID 154198459

IUPAC2-(4-propanoylnaphthalen-1-yl)oxyacetic acid
SMILESCCC(=O)c1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C15H14O4/c1-2-13(16)11-7-8-14(19-9-15(17)18)12-6-4-3-5-10(11)12/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyBIFBSDXWSRLHHN-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid

2-(4-propanoylnaphthalen-1-yl)oxyacetic acid (PubChem CID 154198459) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(4-propanoylnaphthalen-1-yl)oxyacetic acid
PubChem CID154198459
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-(4-propanoylnaphthalen-1-yl)oxyacetic acid
SMILESCCC(=O)c1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C15H14O4/c1-2-13(16)11-7-8-14(19-9-15(17)18)12-6-4-3-5-10(11)12/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyBIFBSDXWSRLHHN-UHFFFAOYSA-N
XLogP2.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethyl-4-propanoylphenoxy)acetic acid
CID 53318156
1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one
CID 3031026
2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
CID 61328364
(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
CID 88736257
2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid
CID 23318370
2-[4-[(2-butan-2-yloxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 120522294
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one
CID 15650188
4-ethoxynaphthalene-1-carboxamide;fluoromethane
CID 143061073
2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185
2-[4-[(2-butoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219236
2-[[10,13,20,23,30-pentakis(carboxymethoxy)-3-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7(35),8,10,12,14,16(34),17(33),18,20,22,24,26(32),27(31),28-octadecaenyl]oxy]acetic acid
CID 122375975

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid?
The IUPAC name of 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid (CID 154198459) is 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid.
What is the SMILES notation for 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid?
The canonical SMILES for 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid is CCC(=O)c1ccc(OCC(=O)O)c2ccccc12.
What is the InChIKey of 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid?
The InChIKey is BIFBSDXWSRLHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-2-13(16)11-7-8-14(19-9-15(17)18)12-6-4-3-5-10(11)12/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid?
2-(4-propanoylnaphthalen-1-yl)oxyacetic acid has a molecular weight of 258.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylnaphthalen-1-yl)oxyacetic acid is sourced from PubChem (CID 154198459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).