ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate

C20H20O3 — CID 12858249

IUPACethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCc2ccccc2C1=O
InChIInChI=1S/C20H20O3/c1-2-23-19(22)20(14-15-8-4-3-5-9-15)13-12-16-10-6-7-11-17(16)18(20)21/h3-11H,2,12-14H2,1H3
InChIKeyGUVZJWOQYKSOPX-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.61
Rot. Bonds4

About ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate

ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate (PubChem CID 12858249) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
PubChem CID12858249
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Nameethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCc2ccccc2C1=O
InChIInChI=1S/C20H20O3/c1-2-23-19(22)20(14-15-8-4-3-5-9-15)13-12-16-10-6-7-11-17(16)18(20)21/h3-11H,2,12-14H2,1H3
InChIKeyGUVZJWOQYKSOPX-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 1-benzylcyclopropane-1-carboxylate
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ethyl 3-acetyloxy-1-benzyl-2-oxocyclopentane-1-carboxylate
CID 10402769
ethyl (2R)-2-(4-bromobut-2-enyl)-3-oxo-1H-indene-2-carboxylate
CID 6713288
2-(carboxymethyl)-1-oxo-3,4-dihydronaphthalene-2-carboxylic acid
CID 10634266
ethyl (3R)-3-benzyl-2-sulfanylidenepiperidine-3-carboxylate
CID 10755015
2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10777325
ethyl 1-[(4-ethylphenyl)methyl]-2-oxocyclohexane-1-carboxylate
CID 103574804
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705
ethyl 1-benzyl-4-[(4-methylphenyl)methyl]-3-oxopiperidine-4-carboxylate
CID 20700253
ethyl 2-(3-ethoxy-3-oxoprop-1-ynyl)-3-oxo-1H-indene-2-carboxylate
CID 134953328

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate?
The IUPAC name of ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate (CID 12858249) is ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate is CCOC(=O)C1(Cc2ccccc2)CCc2ccccc2C1=O.
What is the InChIKey of ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate?
The InChIKey is GUVZJWOQYKSOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-2-23-19(22)20(14-15-8-4-3-5-9-15)13-12-16-10-6-7-11-17(16)18(20)21/h3-11H,2,12-14H2,1H3.
What are the key properties of ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate?
ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 12858249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).