ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate

C15H20O3 — CID 67613778

IUPACethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
SMILESCCOC(=O)COc1cccc2c1CCC(C)C2
InChIInChI=1S/C15H20O3/c1-3-17-15(16)10-18-14-6-4-5-12-9-11(2)7-8-13(12)14/h4-6,11H,3,7-10H2,1-2H3
InChIKeyXOOZJOPYZUPYCI-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate

ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate (PubChem CID 67613778) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
PubChem CID67613778
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
SMILESCCOC(=O)COc1cccc2c1CCC(C)C2
InChIInChI=1S/C15H20O3/c1-3-17-15(16)10-18-14-6-4-5-12-9-11(2)7-8-13(12)14/h4-6,11H,3,7-10H2,1-2H3
InChIKeyXOOZJOPYZUPYCI-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate with MolForge

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Related Compounds

ethyl 2-[[6-(benzhydryloxycarbonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate
CID 70187766
2-[[6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355312
ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate
CID 39733625
ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate
CID 90946427
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516
2-[[6-[[3,3-diphenylpropanoyl(methyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355363
1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one
CID 166125808
2-[[6-(3-hydroxypropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19004218
butane;(2R)-1-fluorobutan-2-ol;(2S)-5-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 143917260
ethyl 2-[2-(oxolan-2-yl)phenoxy]acetate
CID 118270818
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
ethyl 2-(3-amino-2-fluorophenoxy)acetate
CID 141351730

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate (CID 67613778) is ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate is CCOC(=O)COc1cccc2c1CCC(C)C2.
What is the InChIKey of ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate?
The InChIKey is XOOZJOPYZUPYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-17-15(16)10-18-14-6-4-5-12-9-11(2)7-8-13(12)14/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate?
ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate has a molecular weight of 248.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate is sourced from PubChem (CID 67613778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).