ethyl 1H-indene-2-carboxylate

C12H12O2 — CID 15378309

IUPACethyl 1H-indene-2-carboxylate
SMILESCCOC(=O)C1=Cc2ccccc2C1
InChIInChI=1S/C12H12O2/c1-2-14-12(13)11-7-9-5-3-4-6-10(9)8-11/h3-7H,2,8H2,1H3
InChIKeyXQKOXWIOMWAGIY-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.19
Rot. Bonds2

About ethyl 1H-indene-2-carboxylate

ethyl 1H-indene-2-carboxylate (PubChem CID 15378309) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1H-indene-2-carboxylate
PubChem CID15378309
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Nameethyl 1H-indene-2-carboxylate
SMILESCCOC(=O)C1=Cc2ccccc2C1
InChIInChI=1S/C12H12O2/c1-2-14-12(13)11-7-9-5-3-4-6-10(9)8-11/h3-7H,2,8H2,1H3
InChIKeyXQKOXWIOMWAGIY-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 1H-indene-2-carboxylate?
The IUPAC name of ethyl 1H-indene-2-carboxylate (CID 15378309) is ethyl 1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 1H-indene-2-carboxylate?
The canonical SMILES for ethyl 1H-indene-2-carboxylate is CCOC(=O)C1=Cc2ccccc2C1.
What is the InChIKey of ethyl 1H-indene-2-carboxylate?
The InChIKey is XQKOXWIOMWAGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-14-12(13)11-7-9-5-3-4-6-10(9)8-11/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 1H-indene-2-carboxylate?
ethyl 1H-indene-2-carboxylate has a molecular weight of 188.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1H-indene-2-carboxylate is sourced from PubChem (CID 15378309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).