methyl 2-naphthalen-2-yl-2-oxoacetate

C13H10O3 — CID 3726008

IUPACmethyl 2-naphthalen-2-yl-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H10O3/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyFVINGLUELKSOJJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.20
Rot. Bonds2

About methyl 2-naphthalen-2-yl-2-oxoacetate

methyl 2-naphthalen-2-yl-2-oxoacetate (PubChem CID 3726008) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-naphthalen-2-yl-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-naphthalen-2-yl-2-oxoacetate
PubChem CID3726008
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Namemethyl 2-naphthalen-2-yl-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H10O3/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyFVINGLUELKSOJJ-UHFFFAOYSA-N
XLogP2.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
ethane;methyl naphthalene-2-carboxylate
CID 143895262
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
methyl 2-(3-hydroxyphenyl)-2-oxoacetate
CID 19099743
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176
benzyl 2-naphthalen-2-yl-2-oxoacetate
CID 18370584
methyl (2E,4E)-2-methoxy-5-naphthalen-2-ylhexa-2,4-dienoate
CID 139785095
2-naphthalen-2-yl-2-oxoacetyl chloride
CID 19347531
methyl 2-[4-(4-naphthalen-2-ylsulfanylbutoxy)phenyl]-2-oxoacetate
CID 54406942
1,3-dichloropropan-2-yl 2-naphthalen-2-yl-2-oxoacetate
CID 102480202
dinaphthalen-2-ylmethanone
CID 10945915
methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate
CID 53449415

Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-2-yl-2-oxoacetate?
The IUPAC name of methyl 2-naphthalen-2-yl-2-oxoacetate (CID 3726008) is methyl 2-naphthalen-2-yl-2-oxoacetate.
What is the SMILES notation for methyl 2-naphthalen-2-yl-2-oxoacetate?
The canonical SMILES for methyl 2-naphthalen-2-yl-2-oxoacetate is COC(=O)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-naphthalen-2-yl-2-oxoacetate?
The InChIKey is FVINGLUELKSOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3.
What are the key properties of methyl 2-naphthalen-2-yl-2-oxoacetate?
methyl 2-naphthalen-2-yl-2-oxoacetate has a molecular weight of 214.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-naphthalen-2-yl-2-oxoacetate is sourced from PubChem (CID 3726008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).