ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate

C24H26O5 — CID 10135257

IUPACethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate
SMILESCCOC(=O)C(Cc1ccc(OC/C=C/c2cc3ccccc3o2)cc1)OCC
InChIInChI=1S/C24H26O5/c1-3-26-23(24(25)27-4-2)16-18-11-13-20(14-12-18)28-15-7-9-21-17-19-8-5-6-10-22(19)29-21/h5-14,17,23H,3-4,15-16H2,1-2H3/b9-7+
InChIKeyFJAVAKGWXIIIEJ-VQHVLOKHSA-N
MW394.47 g/mol
LogP5.04
Rot. Bonds10

About ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate

ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate (PubChem CID 10135257) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate.

Molecular Properties

Compound Nameethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate
PubChem CID10135257
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Nameethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate
SMILESCCOC(=O)C(Cc1ccc(OC/C=C/c2cc3ccccc3o2)cc1)OCC
InChIInChI=1S/C24H26O5/c1-3-26-23(24(25)27-4-2)16-18-11-13-20(14-12-18)28-15-7-9-21-17-19-8-5-6-10-22(19)29-21/h5-14,17,23H,3-4,15-16H2,1-2H3/b9-7+
InChIKeyFJAVAKGWXIIIEJ-VQHVLOKHSA-N
XLogP5.04
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-ethoxy-3-[4-[(E)-3-phenanthren-9-ylprop-2-enoxy]phenyl]propanoate
CID 87999663
ethyl 2-ethoxy-3-[4-[(E)-3-phenanthren-9-ylprop-2-enoxy]phenyl]propanoate
CID 10115113
ethyl 3-[4-[(E)-3-[3,5-bis(2-phenylethynyl)phenyl]prop-2-enoxy]phenyl]-2-ethoxypropanoate
CID 10280973
ethyl 2-ethoxy-3-[4-[(E)-3-(3-phenoxyphenyl)prop-2-enoxy]phenyl]propanoate
CID 10275435
ethyl (2S)-2-ethoxy-3-[4-[(Z)-5-phenylpent-2-en-4-ynoxy]phenyl]propanoate
CID 87841499
ethyl (2S)-3-[4-[5-[3-[5-[4-[(2S)-2,3-diethoxy-3-oxopropyl]phenoxy]-3-methylpent-3-en-1-ynyl]phenyl]-3-methylpent-2-en-4-ynoxy]phenyl]-2-ethoxypropanoate
CID 90692017
ethyl (2S)-2-ethoxy-3-[4-[2-(5-methyl-2-quinolin-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 91313495
2-ethoxy-3-[4-[4-[4-(3-ethoxy-2-hydroxy-3-oxopropyl)phenoxy]but-2-enoxy]phenyl]propanoic acid
CID 91044572
ethyl 3-[4-(2-fluoren-9-ylideneethoxy)phenyl]-2-propoxypropanoate
CID 23445763
ethyl 2-ethoxy-3-[4-[(E)-3-(4-phenoxyphenyl)but-2-enoxy]phenyl]propanoate
CID 10204857
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl 2-ethoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 74368608

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate?
The IUPAC name of ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate (CID 10135257) is ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate.
What is the SMILES notation for ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate?
The canonical SMILES for ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate is CCOC(=O)C(Cc1ccc(OC/C=C/c2cc3ccccc3o2)cc1)OCC.
What is the InChIKey of ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate?
The InChIKey is FJAVAKGWXIIIEJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C24H26O5/c1-3-26-23(24(25)27-4-2)16-18-11-13-20(14-12-18)28-15-7-9-21-17-19-8-5-6-10-22(19)29-21/h5-14,17,23H,3-4,15-16H2,1-2H3/b9-7+.
What are the key properties of ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate?
ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate has a molecular weight of 394.47 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoate is sourced from PubChem (CID 10135257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).