ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate

C15H14O3 — CID 18769105

IUPACethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
SMILESCCOC(=O)c1ccc2cc3c(cc2c1)CCO3
InChIInChI=1S/C15H14O3/c1-2-17-15(16)12-4-3-10-9-14-11(5-6-18-14)7-13(10)8-12/h3-4,7-9H,2,5-6H2,1H3
InChIKeyWCZVPZUDFONLQM-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.95
Rot. Bonds2

About ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate

ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate (PubChem CID 18769105) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
PubChem CID18769105
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Nameethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
SMILESCCOC(=O)c1ccc2cc3c(cc2c1)CCO3
InChIInChI=1S/C15H14O3/c1-2-17-15(16)12-4-3-10-9-14-11(5-6-18-14)7-13(10)8-12/h3-4,7-9H,2,5-6H2,1H3
InChIKeyWCZVPZUDFONLQM-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-9-carboxylate
CID 138479505
diethyl 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
CID 3590202
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
diethyl 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 86291835
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
ethyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 141207282
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
pent-3-ynyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 75453200
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379362

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate?
The IUPAC name of ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate (CID 18769105) is ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate?
The canonical SMILES for ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate is CCOC(=O)c1ccc2cc3c(cc2c1)CCO3.
What is the InChIKey of ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate?
The InChIKey is WCZVPZUDFONLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-2-17-15(16)12-4-3-10-9-14-11(5-6-18-14)7-13(10)8-12/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate?
ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate has a molecular weight of 242.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate is sourced from PubChem (CID 18769105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).