ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate

C19H18O3 — CID 86206391

IUPACethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate
SMILESCCOC(=O)c1ccc(C2C(=O)CCc3ccccc32)cc1
InChIInChI=1S/C19H18O3/c1-2-22-19(21)15-9-7-14(8-10-15)18-16-6-4-3-5-13(16)11-12-17(18)20/h3-10,18H,2,11-12H2,1H3
InChIKeyCOESFCDZCRFHJI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.51
Rot. Bonds3

About ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate

ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate (PubChem CID 86206391) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate
PubChem CID86206391
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Nameethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate
SMILESCCOC(=O)c1ccc(C2C(=O)CCc3ccccc32)cc1
InChIInChI=1S/C19H18O3/c1-2-22-19(21)15-9-7-14(8-10-15)18-16-6-4-3-5-13(16)11-12-17(18)20/h3-10,18H,2,11-12H2,1H3
InChIKeyCOESFCDZCRFHJI-UHFFFAOYSA-N
XLogP3.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate?
The IUPAC name of ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate (CID 86206391) is ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate.
What is the SMILES notation for ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate?
The canonical SMILES for ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate is CCOC(=O)c1ccc(C2C(=O)CCc3ccccc32)cc1.
What is the InChIKey of ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate?
The InChIKey is COESFCDZCRFHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-2-22-19(21)15-9-7-14(8-10-15)18-16-6-4-3-5-13(16)11-12-17(18)20/h3-10,18H,2,11-12H2,1H3.
What are the key properties of ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate?
ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate has a molecular weight of 294.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)benzoate is sourced from PubChem (CID 86206391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).