propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate

C15H18O4 — CID 69306844

IUPACpropyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate
SMILESCCCOC(=O)c1oc2cccc(CC)c2c1OC
InChIInChI=1S/C15H18O4/c1-4-9-18-15(16)14-13(17-3)12-10(5-2)7-6-8-11(12)19-14/h6-8H,4-5,9H2,1-3H3
InChIKeyQCIVEOAKXBRVEQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.57
Rot. Bonds5

About propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate

propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate (PubChem CID 69306844) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namepropyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate
PubChem CID69306844
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Namepropyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate
SMILESCCCOC(=O)c1oc2cccc(CC)c2c1OC
InChIInChI=1S/C15H18O4/c1-4-9-18-15(16)14-13(17-3)12-10(5-2)7-6-8-11(12)19-14/h6-8H,4-5,9H2,1-3H3
InChIKeyQCIVEOAKXBRVEQ-UHFFFAOYSA-N
XLogP3.57
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
butyl 3-methyl-1-benzofuran-2-carboxylate
CID 78915206
3-amino-4-ethyl-1-benzofuran-2-carboxylic acid
CID 66733988
propyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 112724856
[2-(2,6-diethylanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551712
3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292194
propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
CID 29456795
methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
CID 70461005
1,7-diethyldibenzofuran
CID 135251716
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222

Frequently Asked Questions

What is the IUPAC name of propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate?
The IUPAC name of propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate (CID 69306844) is propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate?
The canonical SMILES for propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate is CCCOC(=O)c1oc2cccc(CC)c2c1OC.
What is the InChIKey of propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate?
The InChIKey is QCIVEOAKXBRVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-4-9-18-15(16)14-13(17-3)12-10(5-2)7-6-8-11(12)19-14/h6-8H,4-5,9H2,1-3H3.
What are the key properties of propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate?
propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 69306844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).