[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate

C12H14O3 — CID 92978915

IUPAC[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCCc2c(O)cccc21
InChIInChI=1S/C12H14O3/c1-8(13)15-12-7-3-4-9-10(12)5-2-6-11(9)14/h2,5-6,12,14H,3-4,7H2,1H3/t12-/m1/s1
InChIKeyWLKDNPCZQSPUDN-GFCCVEGCSA-N
MW206.24 g/mol
LogP2.33
Rot. Bonds1

About [(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate

[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate (PubChem CID 92978915) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
PubChem CID92978915
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCCc2c(O)cccc21
InChIInChI=1S/C12H14O3/c1-8(13)15-12-7-3-4-9-10(12)5-2-6-11(9)14/h2,5-6,12,14H,3-4,7H2,1H3/t12-/m1/s1
InChIKeyWLKDNPCZQSPUDN-GFCCVEGCSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate?
The IUPAC name of [(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate (CID 92978915) is [(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate.
What is the SMILES notation for [(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate?
The canonical SMILES for [(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate is CC(=O)O[C@@H]1CCCc2c(O)cccc21.
What is the InChIKey of [(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate?
The InChIKey is WLKDNPCZQSPUDN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O3/c1-8(13)15-12-7-3-4-9-10(12)5-2-6-11(9)14/h2,5-6,12,14H,3-4,7H2,1H3/t12-/m1/s1.
What are the key properties of [(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate?
[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate has a molecular weight of 206.24 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate is sourced from PubChem (CID 92978915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).