ethyl 3-dibenzofuran-4-ylprop-2-enoate

C17H14O3 — CID 169481101

IUPACethyl 3-dibenzofuran-4-ylprop-2-enoate
SMILESCCOC(=O)C=Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C17H14O3/c1-2-19-16(18)11-10-12-6-5-8-14-13-7-3-4-9-15(13)20-17(12)14/h3-11H,2H2,1H3
InChIKeyPFCIWDNLSXBMMS-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.16
Rot. Bonds3

About ethyl 3-dibenzofuran-4-ylprop-2-enoate

ethyl 3-dibenzofuran-4-ylprop-2-enoate (PubChem CID 169481101) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 3-dibenzofuran-4-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-dibenzofuran-4-ylprop-2-enoate
PubChem CID169481101
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Nameethyl 3-dibenzofuran-4-ylprop-2-enoate
SMILESCCOC(=O)C=Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C17H14O3/c1-2-19-16(18)11-10-12-6-5-8-14-13-7-3-4-9-15(13)20-17(12)14/h3-11H,2H2,1H3
InChIKeyPFCIWDNLSXBMMS-UHFFFAOYSA-N
XLogP4.16
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-dibenzofuran-4-ylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 3-(1-benzofuran-3-yl)prop-2-enoate
CID 169480442
4-but-1-enyldibenzofuran
CID 154131929
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
ethyl (E)-3-[2-(3-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)phenyl]prop-2-enoate
CID 176516568
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate
CID 169480931
2-amino-3-(3-ethoxy-3-oxoprop-1-enyl)benzoic acid
CID 169480669
ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate
CID 142648708
4-dibenzofuran-4-ylbut-3-en-1-ol
CID 170477506

Frequently Asked Questions

What is the IUPAC name of ethyl 3-dibenzofuran-4-ylprop-2-enoate?
The IUPAC name of ethyl 3-dibenzofuran-4-ylprop-2-enoate (CID 169481101) is ethyl 3-dibenzofuran-4-ylprop-2-enoate.
What is the SMILES notation for ethyl 3-dibenzofuran-4-ylprop-2-enoate?
The canonical SMILES for ethyl 3-dibenzofuran-4-ylprop-2-enoate is CCOC(=O)C=Cc1cccc2c1oc1ccccc12.
What is the InChIKey of ethyl 3-dibenzofuran-4-ylprop-2-enoate?
The InChIKey is PFCIWDNLSXBMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-2-19-16(18)11-10-12-6-5-8-14-13-7-3-4-9-15(13)20-17(12)14/h3-11H,2H2,1H3.
What are the key properties of ethyl 3-dibenzofuran-4-ylprop-2-enoate?
ethyl 3-dibenzofuran-4-ylprop-2-enoate has a molecular weight of 266.30 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-dibenzofuran-4-ylprop-2-enoate is sourced from PubChem (CID 169481101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).