ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate

C20H18O4 — CID 174244418

IUPACethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc2c(OCc3ccccc3)cccc2o1
InChIInChI=1S/C20H18O4/c1-2-22-20(21)12-11-16-13-17-18(9-6-10-19(17)24-16)23-14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3/b12-11+
InChIKeyCSMRRCBONMVAHO-VAWYXSNFSA-N
MW322.36 g/mol
LogP4.59
Rot. Bonds6

About ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate

ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate (PubChem CID 174244418) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate
PubChem CID174244418
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Nameethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc2c(OCc3ccccc3)cccc2o1
InChIInChI=1S/C20H18O4/c1-2-22-20(21)12-11-16-13-17-18(9-6-10-19(17)24-16)23-14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3/b12-11+
InChIKeyCSMRRCBONMVAHO-VAWYXSNFSA-N
XLogP4.59
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate
CID 54194018
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
CID 91099844
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
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 3-dibenzofuran-4-ylprop-2-enoate
CID 169481101
(4-oxo-5-phenylmethoxypyran-2-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 84558631
ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate
CID 142648708
5-[(E)-3-ethoxy-3-oxoprop-1-enyl]furan-2-carboxylic acid
CID 14929374
ethyl (E)-5-(3-methoxy-2-phenylmethoxyphenyl)pent-2-enoate
CID 25208371

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate (CID 174244418) is ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate is CCOC(=O)/C=C/c1cc2c(OCc3ccccc3)cccc2o1.
What is the InChIKey of ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate?
The InChIKey is CSMRRCBONMVAHO-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H18O4/c1-2-22-20(21)12-11-16-13-17-18(9-6-10-19(17)24-16)23-14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3/b12-11+.
What are the key properties of ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate?
ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate has a molecular weight of 322.36 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate is sourced from PubChem (CID 174244418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).