ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate

C21H18O6 — CID 34774469

IUPACethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C21H18O6/c1-2-24-21(23)19-15(14-8-4-6-10-17(14)27-19)12-25-20(22)18-11-13-7-3-5-9-16(13)26-18/h3-10,18H,2,11-12H2,1H3/t18-/m1/s1
InChIKeyLWXVWVXZHBIMBQ-GOSISDBHSA-N
MW366.37 g/mol
LogP3.66
Rot. Bonds5

About ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate

ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate (PubChem CID 34774469) has the molecular formula C21H18O6 and a molecular weight of 366.37 g/mol. Its IUPAC name is ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate
PubChem CID34774469
Molecular FormulaC21H18O6
Molecular Weight366.37 g/mol
Exact Mass366.11
IUPAC Nameethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C21H18O6/c1-2-24-21(23)19-15(14-8-4-6-10-17(14)27-19)12-25-20(22)18-11-13-7-3-5-9-16(13)26-18/h3-10,18H,2,11-12H2,1H3/t18-/m1/s1
InChIKeyLWXVWVXZHBIMBQ-GOSISDBHSA-N
XLogP3.66
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55640917
(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 30123421
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697
ethyl 3-[(5-methylthiophene-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560148
ethyl 3-[[4-(hydroxymethyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8535590
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
methyl (3S)-2-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8758292
ethyl 3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560149
ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
ethyl 3-[[2-[(S)-methylsulfinyl]benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 11927023
ethyl 3-[[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 9478350
ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560216

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate (CID 34774469) is ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H]1Cc2ccccc2O1.
What is the InChIKey of ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate?
The InChIKey is LWXVWVXZHBIMBQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H18O6/c1-2-24-21(23)19-15(14-8-4-6-10-17(14)27-19)12-25-20(22)18-11-13-7-3-5-9-16(13)26-18/h3-10,18H,2,11-12H2,1H3/t18-/m1/s1.
What are the key properties of ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate?
ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]oxymethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 34774469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).