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

C15H16O3 — CID 104503814

IUPACethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate
SMILESCCOC(=O)/C(C)=C/c1c(C)oc2ccccc12
InChIInChI=1S/C15H16O3/c1-4-17-15(16)10(2)9-13-11(3)18-14-8-6-5-7-12(13)14/h5-9H,4H2,1-3H3/b10-9+
InChIKeyCHCJALLXGBNVLW-MDZDMXLPSA-N
MW244.29 g/mol
LogP3.71
Rot. Bonds3

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

ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate (PubChem CID 104503814) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate
PubChem CID104503814
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nameethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate
SMILESCCOC(=O)/C(C)=C/c1c(C)oc2ccccc12
InChIInChI=1S/C15H16O3/c1-4-17-15(16)10(2)9-13-11(3)18-14-8-6-5-7-12(13)14/h5-9H,4H2,1-3H3/b10-9+
InChIKeyCHCJALLXGBNVLW-MDZDMXLPSA-N
XLogP3.71
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate
CID 75164211
ethyl 3-(3-bromo-1,4-dimethoxynaphthalen-2-yl)-2-methylprop-2-enoate
CID 75164236
ethyl (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
CID 88621267
(E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol
CID 103091108
ethyl (E)-2-cyano-3-(3-hydroxy-1-benzofuran-2-yl)prop-2-enoate
CID 54697350
ethyl 2-[(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate
CID 930826
ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate
CID 106885924
ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate
CID 59134931
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
ethyl 2-[(2-oxochromen-4-yl)methyl]prop-2-enoate
CID 14870004
ethyl 3-dibenzofuran-4-ylprop-2-enoate
CID 169481101
ethyl (E)-3-(4-ethylphenyl)-2-methylprop-2-enoate
CID 104503609

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate (CID 104503814) is ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate is CCOC(=O)/C(C)=C/c1c(C)oc2ccccc12.
What is the InChIKey of ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate?
The InChIKey is CHCJALLXGBNVLW-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H16O3/c1-4-17-15(16)10(2)9-13-11(3)18-14-8-6-5-7-12(13)14/h5-9H,4H2,1-3H3/b10-9+.
What are the key properties of ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate?
ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate is sourced from PubChem (CID 104503814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).