ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate

C16H20O3 — CID 118477285

IUPACethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
SMILESCCOC(=O)CCC1CCc2cc(C)ccc2C1=O
InChIInChI=1S/C16H20O3/c1-3-19-15(17)9-7-12-5-6-13-10-11(2)4-8-14(13)16(12)18/h4,8,10,12H,3,5-7,9H2,1-2H3
InChIKeyVRIFEOLULYHNBO-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.08
Rot. Bonds4

About ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate

ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate (PubChem CID 118477285) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
PubChem CID118477285
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Nameethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
SMILESCCOC(=O)CCC1CCc2cc(C)ccc2C1=O
InChIInChI=1S/C16H20O3/c1-3-19-15(17)9-7-12-5-6-13-10-11(2)4-8-14(13)16(12)18/h4,8,10,12H,3,5-7,9H2,1-2H3
InChIKeyVRIFEOLULYHNBO-UHFFFAOYSA-N
XLogP3.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 10857317
ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 58565948
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
CID 118477298
ethyl 6-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate
CID 82363876
5-methyl-2-propyl-2,3-dihydroinden-1-one
CID 102386664
ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 123645338
4-[6-(4-methoxyphenyl)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]butanoic acid
CID 143529160
3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 10776928
ethyl 6-butoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 71201469
methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
CID 21063015
2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide
CID 22998648

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The IUPAC name of ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate (CID 118477285) is ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The canonical SMILES for ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate is CCOC(=O)CCC1CCc2cc(C)ccc2C1=O.
What is the InChIKey of ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The InChIKey is VRIFEOLULYHNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-3-19-15(17)9-7-12-5-6-13-10-11(2)4-8-14(13)16(12)18/h4,8,10,12H,3,5-7,9H2,1-2H3.
What are the key properties of ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate has a molecular weight of 260.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate is sourced from PubChem (CID 118477285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).