(6-chloro-2,3-dihydro-1H-inden-1-yl) acetate

C11H11ClO2 — CID 141038588

IUPAC(6-chloro-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CCc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClO2/c1-7(13)14-11-5-3-8-2-4-9(12)6-10(8)11/h2,4,6,11H,3,5H2,1H3
InChIKeyIBQFQXVORRWTDP-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.89
Rot. Bonds1

About (6-chloro-2,3-dihydro-1H-inden-1-yl) acetate

(6-chloro-2,3-dihydro-1H-inden-1-yl) acetate (PubChem CID 141038588) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (6-chloro-2,3-dihydro-1H-inden-1-yl) acetate.

Molecular Properties

Compound Name(6-chloro-2,3-dihydro-1H-inden-1-yl) acetate
PubChem CID141038588
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(6-chloro-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CCc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClO2/c1-7(13)14-11-5-3-8-2-4-9(12)6-10(8)11/h2,4,6,11H,3,5H2,1H3
InChIKeyIBQFQXVORRWTDP-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydro-1H-inden-1-yl) acetate?
The IUPAC name of (6-chloro-2,3-dihydro-1H-inden-1-yl) acetate (CID 141038588) is (6-chloro-2,3-dihydro-1H-inden-1-yl) acetate.
What is the SMILES notation for (6-chloro-2,3-dihydro-1H-inden-1-yl) acetate?
The canonical SMILES for (6-chloro-2,3-dihydro-1H-inden-1-yl) acetate is CC(=O)OC1CCc2ccc(Cl)cc21.
What is the InChIKey of (6-chloro-2,3-dihydro-1H-inden-1-yl) acetate?
The InChIKey is IBQFQXVORRWTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-7(13)14-11-5-3-8-2-4-9(12)6-10(8)11/h2,4,6,11H,3,5H2,1H3.
What are the key properties of (6-chloro-2,3-dihydro-1H-inden-1-yl) acetate?
(6-chloro-2,3-dihydro-1H-inden-1-yl) acetate has a molecular weight of 210.66 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dihydro-1H-inden-1-yl) acetate is sourced from PubChem (CID 141038588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).