ethyl 2H-indeno[1,2-b]furan-3-carboxylate

C14H12O3 — CID 167530443

IUPACethyl 2H-indeno[1,2-b]furan-3-carboxylate
SMILESCCOC(=O)C1=C2C=c3ccccc3=C2OC1
InChIInChI=1S/C14H12O3/c1-2-16-14(15)12-8-17-13-10-6-4-3-5-9(10)7-11(12)13/h3-7H,2,8H2,1H3
InChIKeyMRPGEZRCGIYOGI-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.48
Rot. Bonds2

About ethyl 2H-indeno[1,2-b]furan-3-carboxylate

ethyl 2H-indeno[1,2-b]furan-3-carboxylate (PubChem CID 167530443) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 2H-indeno[1,2-b]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2H-indeno[1,2-b]furan-3-carboxylate
PubChem CID167530443
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Nameethyl 2H-indeno[1,2-b]furan-3-carboxylate
SMILESCCOC(=O)C1=C2C=c3ccccc3=C2OC1
InChIInChI=1S/C14H12O3/c1-2-16-14(15)12-8-17-13-10-6-4-3-5-9(10)7-11(12)13/h3-7H,2,8H2,1H3
InChIKeyMRPGEZRCGIYOGI-UHFFFAOYSA-N
XLogP0.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2H-indeno[1,2-b]furan-3-carboxylate?
The IUPAC name of ethyl 2H-indeno[1,2-b]furan-3-carboxylate (CID 167530443) is ethyl 2H-indeno[1,2-b]furan-3-carboxylate.
What is the SMILES notation for ethyl 2H-indeno[1,2-b]furan-3-carboxylate?
The canonical SMILES for ethyl 2H-indeno[1,2-b]furan-3-carboxylate is CCOC(=O)C1=C2C=c3ccccc3=C2OC1.
What is the InChIKey of ethyl 2H-indeno[1,2-b]furan-3-carboxylate?
The InChIKey is MRPGEZRCGIYOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-2-16-14(15)12-8-17-13-10-6-4-3-5-9(10)7-11(12)13/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2H-indeno[1,2-b]furan-3-carboxylate?
ethyl 2H-indeno[1,2-b]furan-3-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-indeno[1,2-b]furan-3-carboxylate is sourced from PubChem (CID 167530443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).