7,8-dihydronaphthalen-2-yl acetate

C12H12O2 — CID 19841203

IUPAC7,8-dihydronaphthalen-2-yl acetate
SMILESCC(=O)Oc1ccc2c(c1)CCC=C2
InChIInChI=1S/C12H12O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2,4,6-8H,3,5H2,1H3
InChIKeyAHRHOGXDIJJCAB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.57
Rot. Bonds1

About 7,8-dihydronaphthalen-2-yl acetate

7,8-dihydronaphthalen-2-yl acetate (PubChem CID 19841203) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 7,8-dihydronaphthalen-2-yl acetate.

Molecular Properties

Compound Name7,8-dihydronaphthalen-2-yl acetate
PubChem CID19841203
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name7,8-dihydronaphthalen-2-yl acetate
SMILESCC(=O)Oc1ccc2c(c1)CCC=C2
InChIInChI=1S/C12H12O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2,4,6-8H,3,5H2,1H3
InChIKeyAHRHOGXDIJJCAB-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydronaphthalen-2-yl acetate?
The IUPAC name of 7,8-dihydronaphthalen-2-yl acetate (CID 19841203) is 7,8-dihydronaphthalen-2-yl acetate.
What is the SMILES notation for 7,8-dihydronaphthalen-2-yl acetate?
The canonical SMILES for 7,8-dihydronaphthalen-2-yl acetate is CC(=O)Oc1ccc2c(c1)CCC=C2.
What is the InChIKey of 7,8-dihydronaphthalen-2-yl acetate?
The InChIKey is AHRHOGXDIJJCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2,4,6-8H,3,5H2,1H3.
What are the key properties of 7,8-dihydronaphthalen-2-yl acetate?
7,8-dihydronaphthalen-2-yl acetate has a molecular weight of 188.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydronaphthalen-2-yl acetate is sourced from PubChem (CID 19841203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).