ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate

C12H13ClO2 — CID 18342393

IUPACethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate
SMILESCCOC(=O)C1CCc2cc(Cl)ccc21
InChIInChI=1S/C12H13ClO2/c1-2-15-12(14)11-5-3-8-7-9(13)4-6-10(8)11/h4,6-7,11H,2-3,5H2,1H3
InChIKeyMWHIPLIKULCFOE-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.93
Rot. Bonds2

About ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate

ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 18342393) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID18342393
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Nameethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate
SMILESCCOC(=O)C1CCc2cc(Cl)ccc21
InChIInChI=1S/C12H13ClO2/c1-2-15-12(14)11-5-3-8-7-9(13)4-6-10(8)11/h4,6-7,11H,2-3,5H2,1H3
InChIKeyMWHIPLIKULCFOE-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate (CID 18342393) is ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate is CCOC(=O)C1CCc2cc(Cl)ccc21.
What is the InChIKey of ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is MWHIPLIKULCFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-2-15-12(14)11-5-3-8-7-9(13)4-6-10(8)11/h4,6-7,11H,2-3,5H2,1H3.
What are the key properties of ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate?
ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 224.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 18342393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).