1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate

C13H16O3 — CID 54252601

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate
SMILESCOCC(=O)OC1CCc2ccccc2C1
InChIInChI=1S/C13H16O3/c1-15-9-13(14)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12H,6-9H2,1H3
InChIKeyQXUYESUWUINYHB-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.73
Rot. Bonds3

About 1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate

1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate (PubChem CID 54252601) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate
PubChem CID54252601
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate
SMILESCOCC(=O)OC1CCc2ccccc2C1
InChIInChI=1S/C13H16O3/c1-15-9-13(14)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12H,6-9H2,1H3
InChIKeyQXUYESUWUINYHB-UHFFFAOYSA-N
XLogP1.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate (CID 54252601) is 1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate is COCC(=O)OC1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate?
The InChIKey is QXUYESUWUINYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-9-13(14)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12H,6-9H2,1H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate?
1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate has a molecular weight of 220.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate is sourced from PubChem (CID 54252601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).