ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate

C19H14ClFO5 — CID 16560216

IUPACethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C19H14ClFO5/c1-2-24-19(23)17-14(12-5-3-4-6-16(12)26-17)10-25-18(22)13-8-7-11(21)9-15(13)20/h3-9H,2,10H2,1H3
InChIKeyNFBUNXAELGCEIB-UHFFFAOYSA-N
MW376.77 g/mol
LogP4.76
Rot. Bonds5

About ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate

ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate (PubChem CID 16560216) has the molecular formula C19H14ClFO5 and a molecular weight of 376.77 g/mol. Its IUPAC name is ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
PubChem CID16560216
Molecular FormulaC19H14ClFO5
Molecular Weight376.77 g/mol
Exact Mass376.05
IUPAC Nameethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C19H14ClFO5/c1-2-24-19(23)17-14(12-5-3-4-6-16(12)26-17)10-25-18(22)13-8-7-11(21)9-15(13)20/h3-9H,2,10H2,1H3
InChIKeyNFBUNXAELGCEIB-UHFFFAOYSA-N
XLogP4.76
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2,3,4-trimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8509793
(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8853364
ethyl 3-[[2-[(S)-methylsulfinyl]benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 11927023
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697
ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
ethyl 3-[[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 9478350
ethyl 3-[[4-(hydroxymethyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8535590
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate
CID 18688795
ethyl 3-[(5-methylthiophene-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560148
ethyl 3-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 41294751
ethyl 3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560149

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate (CID 16560216) is ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate?
The InChIKey is NFBUNXAELGCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO5/c1-2-24-19(23)17-14(12-5-3-4-6-16(12)26-17)10-25-18(22)13-8-7-11(21)9-15(13)20/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate?
ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate has a molecular weight of 376.77 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 16560216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).