2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid

C15H14O5 — CID 61328364

IUPAC2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
SMILESCOc1ccc(C(=O)COCC(=O)O)c2ccccc12
InChIInChI=1S/C15H14O5/c1-19-14-7-6-11(10-4-2-3-5-12(10)14)13(16)8-20-9-15(17)18/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyCSCLIILQJABHIW-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.13
Rot. Bonds6

About 2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid

2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid (PubChem CID 61328364) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
PubChem CID61328364
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
SMILESCOc1ccc(C(=O)COCC(=O)O)c2ccccc12
InChIInChI=1S/C15H14O5/c1-19-14-7-6-11(10-4-2-3-5-12(10)14)13(16)8-20-9-15(17)18/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyCSCLIILQJABHIW-UHFFFAOYSA-N
XLogP2.13
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid
CID 61327591
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
CID 147751459
2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone
CID 46307754
2-(4-propanoylnaphthalen-1-yl)oxyacetic acid
CID 154198459
4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
CID 71587270
[2-(4-methoxynaphthalen-1-yl)-2-oxoethyl]-methyl-(trifluoromethyl)sulfanium;methylsulfanylmethane
CID 171929339
[4-(4-methoxynaphthalen-1-yl)-4-oxobutan-2-yl]-methylsulfanium
CID 149125335
1-(3-bromo-2,4-dimethoxyphenyl)-2-phenoxyethanone
CID 103523048
2-[2-(2-bromo-4,5-dimethoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327007
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid (CID 61328364) is 2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid is COc1ccc(C(=O)COCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid?
The InChIKey is CSCLIILQJABHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-19-14-7-6-11(10-4-2-3-5-12(10)14)13(16)8-20-9-15(17)18/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid?
2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid has a molecular weight of 274.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).