(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate

C13H16O2 — CID 157223751

IUPAC(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate
SMILESCC(=O)OC1(C)Cc2ccc(C)cc2C1
InChIInChI=1S/C13H16O2/c1-9-4-5-11-7-13(3,15-10(2)14)8-12(11)6-9/h4-6H,7-8H2,1-3H3
InChIKeyATHKWFUSDQBOHK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.42
Rot. Bonds1

About (2,5-dimethyl-1,3-dihydroinden-2-yl) acetate

(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate (PubChem CID 157223751) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-dihydroinden-2-yl) acetate.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate
PubChem CID157223751
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate
SMILESCC(=O)OC1(C)Cc2ccc(C)cc2C1
InChIInChI=1S/C13H16O2/c1-9-4-5-11-7-13(3,15-10(2)14)8-12(11)6-9/h4-6H,7-8H2,1-3H3
InChIKeyATHKWFUSDQBOHK-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-dihydroinden-2-yl) acetate?
The IUPAC name of (2,5-dimethyl-1,3-dihydroinden-2-yl) acetate (CID 157223751) is (2,5-dimethyl-1,3-dihydroinden-2-yl) acetate.
What is the SMILES notation for (2,5-dimethyl-1,3-dihydroinden-2-yl) acetate?
The canonical SMILES for (2,5-dimethyl-1,3-dihydroinden-2-yl) acetate is CC(=O)OC1(C)Cc2ccc(C)cc2C1.
What is the InChIKey of (2,5-dimethyl-1,3-dihydroinden-2-yl) acetate?
The InChIKey is ATHKWFUSDQBOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-4-5-11-7-13(3,15-10(2)14)8-12(11)6-9/h4-6H,7-8H2,1-3H3.
What are the key properties of (2,5-dimethyl-1,3-dihydroinden-2-yl) acetate?
(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate has a molecular weight of 204.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-dihydroinden-2-yl) acetate is sourced from PubChem (CID 157223751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).