ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate

C18H18O2 — CID 118559917

IUPACethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C18H18O2/c1-2-20-17(19)18(16-10-4-3-5-11-16)12-14-8-6-7-9-15(14)13-18/h3-11H,2,12-13H2,1H3
InChIKeyXOHMIUAZCZBYTJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.29
Rot. Bonds3

About ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate

ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate (PubChem CID 118559917) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
PubChem CID118559917
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C18H18O2/c1-2-20-17(19)18(16-10-4-3-5-11-16)12-14-8-6-7-9-15(14)13-18/h3-11H,2,12-13H2,1H3
InChIKeyXOHMIUAZCZBYTJ-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate (CID 118559917) is ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(c2ccccc2)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate?
The InChIKey is XOHMIUAZCZBYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-20-17(19)18(16-10-4-3-5-11-16)12-14-8-6-7-9-15(14)13-18/h3-11H,2,12-13H2,1H3.
What are the key properties of ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate?
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 118559917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).