ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate

C21H20O5 — CID 58433886

IUPACethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc2ccoc2c(OC)c1OCc1ccccc1
InChIInChI=1S/C21H20O5/c1-3-24-18(22)10-9-16-13-17-11-12-25-19(17)21(23-2)20(16)26-14-15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3/b10-9+
InChIKeyCUDPBPCPVXIXLG-MDZDMXLPSA-N
MW352.39 g/mol
LogP4.60
Rot. Bonds7

About ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate

ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate (PubChem CID 58433886) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate
PubChem CID58433886
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Nameethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc2ccoc2c(OC)c1OCc1ccccc1
InChIInChI=1S/C21H20O5/c1-3-24-18(22)10-9-16-13-17-11-12-25-19(17)21(23-2)20(16)26-14-15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3/b10-9+
InChIKeyCUDPBPCPVXIXLG-MDZDMXLPSA-N
XLogP4.60
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-7-hydroxy-1-benzofuran-6-yl] 4-chlorobenzoate
CID 141235372
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
ethane;ethyl 2-(7-phenylmethoxy-1-benzofuran-5-yl)acetate
CID 91324608
2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-methoxy-6-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]phenyl]acetic acid
CID 135065168
ethyl (E)-3-[2-[(dimethylamino)methyl]-4-phenylmethoxyphenyl]prop-2-enoate
CID 58566589
ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 90905721
ethyl (E)-3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 86618807
ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484
ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate
CID 174244418
ethyl 3-[2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxyphenyl]prop-2-enoate
CID 141140358

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate (CID 58433886) is ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate is CCOC(=O)/C=C/c1cc2ccoc2c(OC)c1OCc1ccccc1.
What is the InChIKey of ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate?
The InChIKey is CUDPBPCPVXIXLG-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H20O5/c1-3-24-18(22)10-9-16-13-17-11-12-25-19(17)21(23-2)20(16)26-14-15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3/b10-9+.
What are the key properties of ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate?
ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate has a molecular weight of 352.39 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate is sourced from PubChem (CID 58433886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).