ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate

C13H15ClO2 — CID 23549532

IUPACethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)CC1CCc2c(Cl)cccc21
InChIInChI=1S/C13H15ClO2/c1-2-16-13(15)8-9-6-7-11-10(9)4-3-5-12(11)14/h3-5,9H,2,6-8H2,1H3
InChIKeyGIVQRYJCGQQDCE-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.32
Rot. Bonds3

About ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate

ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 23549532) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID23549532
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Nameethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)CC1CCc2c(Cl)cccc21
InChIInChI=1S/C13H15ClO2/c1-2-16-13(15)8-9-6-7-11-10(9)4-3-5-12(11)14/h3-5,9H,2,6-8H2,1H3
InChIKeyGIVQRYJCGQQDCE-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate (CID 23549532) is ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate is CCOC(=O)CC1CCc2c(Cl)cccc21.
What is the InChIKey of ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is GIVQRYJCGQQDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-2-16-13(15)8-9-6-7-11-10(9)4-3-5-12(11)14/h3-5,9H,2,6-8H2,1H3.
What are the key properties of ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate?
ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 238.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 23549532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).