ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate

C15H17ClO3 — CID 162204632

IUPACethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1(CC)CCC(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H17ClO3/c1-3-15(14(18)19-4-2)8-7-13(17)11-9-10(16)5-6-12(11)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyYAHRULPKBSNSDE-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.53
Rot. Bonds3

About ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate

ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate (PubChem CID 162204632) has the molecular formula C15H17ClO3 and a molecular weight of 280.75 g/mol. Its IUPAC name is ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate
PubChem CID162204632
Molecular FormulaC15H17ClO3
Molecular Weight280.75 g/mol
Exact Mass280.09
IUPAC Nameethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1(CC)CCC(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H17ClO3/c1-3-15(14(18)19-4-2)8-7-13(17)11-9-10(16)5-6-12(11)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyYAHRULPKBSNSDE-UHFFFAOYSA-N
XLogP3.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate
CID 56646988
1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid
CID 121004266
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 1-ethyl-2-oxocycloheptane-1-carboxylate
CID 15074127
ethyl 1-ethyl-2-oxocyclododecane-1-carboxylate
CID 12013534
ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
CID 97290484
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one
CID 18180234
ethyl 7-chloro-1-hydroxy-3-oxospiro[naphthalene-4,4'-oxane]-2-carboxylate
CID 67099777
ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate
CID 110479350
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 5-chloro-2-(propylamino)-1,3-dihydroindene-2-carboxylate
CID 113291830

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate?
The IUPAC name of ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate (CID 162204632) is ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate?
The canonical SMILES for ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate is CCOC(=O)C1(CC)CCC(=O)c2cc(Cl)ccc21.
What is the InChIKey of ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate?
The InChIKey is YAHRULPKBSNSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3/c1-3-15(14(18)19-4-2)8-7-13(17)11-9-10(16)5-6-12(11)15/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate?
ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate has a molecular weight of 280.75 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate is sourced from PubChem (CID 162204632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).