ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate

C15H14O3 — CID 10331966

IUPACethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(o1)CCc1ccccc1-2
InChIInChI=1S/C15H14O3/c1-2-17-15(16)14-9-12-11-6-4-3-5-10(11)7-8-13(12)18-14/h3-6,9H,2,7-8H2,1H3
InChIKeyMSAMFPDJHZMMRV-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.22
Rot. Bonds2

About ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate

ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate (PubChem CID 10331966) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate
PubChem CID10331966
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Nameethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(o1)CCc1ccccc1-2
InChIInChI=1S/C15H14O3/c1-2-17-15(16)14-9-12-11-6-4-3-5-10(11)7-8-13(12)18-14/h3-6,9H,2,7-8H2,1H3
InChIKeyMSAMFPDJHZMMRV-UHFFFAOYSA-N
XLogP3.22
TPSA39.44 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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-phenyl-4,5-dihydrobenzo[e][1]benzofuran-2-yl)acetate
CID 139256471
ethyl 4-benzyl-5-methylfuran-2-carboxylate
CID 102582435
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl 3-(1-methyl-3,4-dihydronaphthalen-2-yl)benzoate
CID 135055607
ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate
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ethyl (5E)-5-methyl-7-oxo-9,10-dihydro-8H-benzo[8]annulene-6-carboxylate
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ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate
CID 71813757
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CID 10911403
ethyl 6-(4-aminobenzoyl)-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate?
The IUPAC name of ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate (CID 10331966) is ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate?
The canonical SMILES for ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate is CCOC(=O)c1cc2c(o1)CCc1ccccc1-2.
What is the InChIKey of ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate?
The InChIKey is MSAMFPDJHZMMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-2-17-15(16)14-9-12-11-6-4-3-5-10(11)7-8-13(12)18-14/h3-6,9H,2,7-8H2,1H3.
What are the key properties of ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate?
ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate has a molecular weight of 242.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate is sourced from PubChem (CID 10331966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).