methyl 2-naphthalen-2-yl-3-oxopropanoate

C14H12O3 — CID 175120157

IUPACmethyl 2-naphthalen-2-yl-3-oxopropanoate
SMILESCOC(=O)C(C=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H12O3/c1-17-14(16)13(9-15)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13H,1H3
InChIKeySRARKLZIIMDYQM-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.30
Rot. Bonds3

About methyl 2-naphthalen-2-yl-3-oxopropanoate

methyl 2-naphthalen-2-yl-3-oxopropanoate (PubChem CID 175120157) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-naphthalen-2-yl-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 2-naphthalen-2-yl-3-oxopropanoate
PubChem CID175120157
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Namemethyl 2-naphthalen-2-yl-3-oxopropanoate
SMILESCOC(=O)C(C=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H12O3/c1-17-14(16)13(9-15)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13H,1H3
InChIKeySRARKLZIIMDYQM-UHFFFAOYSA-N
XLogP2.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate
CID 162623015
dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate
CID 134846640
methyl 2-[amino(naphthalen-2-yl)methyl]butanoate
CID 116946047
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
CID 116860560
methyl (2R)-2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 177394965
methyl 2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 102072351
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
methyl 2-[(R)-(methoxycarbonylamino)-naphthalen-2-ylmethyl]-3-oxobutanoate
CID 23872060

Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-2-yl-3-oxopropanoate?
The IUPAC name of methyl 2-naphthalen-2-yl-3-oxopropanoate (CID 175120157) is methyl 2-naphthalen-2-yl-3-oxopropanoate.
What is the SMILES notation for methyl 2-naphthalen-2-yl-3-oxopropanoate?
The canonical SMILES for methyl 2-naphthalen-2-yl-3-oxopropanoate is COC(=O)C(C=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-naphthalen-2-yl-3-oxopropanoate?
The InChIKey is SRARKLZIIMDYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-17-14(16)13(9-15)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13H,1H3.
What are the key properties of methyl 2-naphthalen-2-yl-3-oxopropanoate?
methyl 2-naphthalen-2-yl-3-oxopropanoate has a molecular weight of 228.25 g/mol, XLogP of 2.30, 3 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-3-oxopropanoate is sourced from PubChem (CID 175120157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).