ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate

C17H22O3 — CID 118477298

IUPACethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
SMILESCCOC(=O)C[C@]1(CC)CCc2cc(C)ccc2C1=O
InChIInChI=1S/C17H22O3/c1-4-17(11-15(18)20-5-2)9-8-13-10-12(3)6-7-14(13)16(17)19/h6-7,10H,4-5,8-9,11H2,1-3H3/t17-/m0/s1
InChIKeyRIXHPRFELNELBZ-KRWDZBQOSA-N
MW274.36 g/mol
LogP3.47
Rot. Bonds4

About ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate

ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate (PubChem CID 118477298) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
PubChem CID118477298
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Nameethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
SMILESCCOC(=O)C[C@]1(CC)CCc2cc(C)ccc2C1=O
InChIInChI=1S/C17H22O3/c1-4-17(11-15(18)20-5-2)9-8-13-10-12(3)6-7-14(13)16(17)19/h6-7,10H,4-5,8-9,11H2,1-3H3/t17-/m0/s1
InChIKeyRIXHPRFELNELBZ-KRWDZBQOSA-N
XLogP3.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
CID 118477288
ethyl 2-[6-(4-amino-2-chlorophenyl)-2-ethyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
CID 89239936
fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 144625647
ethyl 2-[1-oxo-2-(2,2,2-trifluoroethyl)-6-(trifluoromethylsulfonyloxy)-3,4-dihydronaphthalen-2-yl]acetate
CID 89239979
ethyl 2-[2-ethyl-1-oxo-6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-3,4-dihydronaphthalen-2-yl]acetate
CID 71063109
methyl 6,6-diethyl-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 102085766
ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 118477285
ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 174154255
ethyl 2-[1-oxo-6-[4-(phenylcarbamoylamino)phenyl]-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate
CID 71063101
ethyl 6-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate
CID 82363876
2-[2-ethyl-6-[4-[(4-methoxyphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetic acid
CID 71061696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate (CID 118477298) is ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate is CCOC(=O)C[C@]1(CC)CCc2cc(C)ccc2C1=O.
What is the InChIKey of ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate?
The InChIKey is RIXHPRFELNELBZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22O3/c1-4-17(11-15(18)20-5-2)9-8-13-10-12(3)6-7-14(13)16(17)19/h6-7,10H,4-5,8-9,11H2,1-3H3/t17-/m0/s1.
What are the key properties of ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate?
ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate has a molecular weight of 274.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate is sourced from PubChem (CID 118477298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).