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

C12H14O2 — CID 582612

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl acetate
SMILESCC(=O)OC1CCCc2ccccc21
InChIInChI=1S/C12H14O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8H2,1H3
InChIKeyXAEPSGWPSVIKND-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.63
Rot. Bonds1

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

1,2,3,4-tetrahydronaphthalen-1-yl acetate (PubChem CID 582612) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl acetate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl acetate
PubChem CID582612
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl acetate
SMILESCC(=O)OC1CCCc2ccccc21
InChIInChI=1S/C12H14O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8H2,1H3
InChIKeyXAEPSGWPSVIKND-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl acetate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl acetate (CID 582612) is 1,2,3,4-tetrahydronaphthalen-1-yl acetate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl acetate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl acetate is CC(=O)OC1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl acetate?
The InChIKey is XAEPSGWPSVIKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8H2,1H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl acetate?
1,2,3,4-tetrahydronaphthalen-1-yl acetate has a molecular weight of 190.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl acetate is sourced from PubChem (CID 582612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).