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

C17H24O3 — CID 167218753

IUPACethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)CC(C(C)C)CC2
InChIInChI=1S/C17H24O3/c1-4-19-17(18)11-20-16-8-7-13-5-6-14(12(2)3)9-15(13)10-16/h7-8,10,12,14H,4-6,9,11H2,1-3H3
InChIKeyJRYVULAORNMIKZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.39
Rot. Bonds5

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

ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate (PubChem CID 167218753) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate
PubChem CID167218753
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Nameethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)CC(C(C)C)CC2
InChIInChI=1S/C17H24O3/c1-4-19-17(18)11-20-16-8-7-13-5-6-14(12(2)3)9-15(13)10-16/h7-8,10,12,14H,4-6,9,11H2,1-3H3
InChIKeyJRYVULAORNMIKZ-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923
ethyl 2-[[7-(2-hydroxyethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
CID 23191781
ethyl 2-[[(6S)-6-[[(1S)-1-phenylethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
CID 11314618
ethyl 2-[[(7S)-7-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 54442037
ethyl 2-[[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
CID 11494280
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
CID 54113482
ethyl 5-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pentanoate
CID 14848615
ethyl 2-[[(7R)-7-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 159432574
ethyl 2-[[(7S)-7-[[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 57233510
ethyl 2-[[7-[[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
CID 67685653

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate (CID 167218753) is ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate is CCOC(=O)COc1ccc2c(c1)CC(C(C)C)CC2.
What is the InChIKey of ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate?
The InChIKey is JRYVULAORNMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-4-19-17(18)11-20-16-8-7-13-5-6-14(12(2)3)9-15(13)10-16/h7-8,10,12,14H,4-6,9,11H2,1-3H3.
What are the key properties of ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate?
ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate has a molecular weight of 276.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate is sourced from PubChem (CID 167218753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).