dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate

C18H14O3 — CID 167835618

IUPACdibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate
SMILESO=C(/C=C/C1CC1)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H14O3/c19-18(10-7-12-5-6-12)20-13-8-9-17-15(11-13)14-3-1-2-4-16(14)21-17/h1-4,7-12H,5-6H2/b10-7+
InChIKeyGEVCWOZDKPRAGU-JXMROGBWSA-N
MW278.31 g/mol
LogP4.46
Rot. Bonds3

About dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate

dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate (PubChem CID 167835618) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate.

Molecular Properties

Compound Namedibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate
PubChem CID167835618
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Namedibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate
SMILESO=C(/C=C/C1CC1)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H14O3/c19-18(10-7-12-5-6-12)20-13-8-9-17-15(11-13)14-3-1-2-4-16(14)21-17/h1-4,7-12H,5-6H2/b10-7+
InChIKeyGEVCWOZDKPRAGU-JXMROGBWSA-N
XLogP4.46
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
dibenzofuran-2-yl 3,5-dimethoxybenzoate
CID 4314506
4-dibenzofuran-2-yloxybut-2-enoic acid
CID 76940836
1-dibenzofuran-2-yloxydibenzofuran-2-ol
CID 135058246
dibenzofuran-2-yl 3-chlorobenzoate
CID 3985789
dibenzofuran-2-yl hydrogen sulfite
CID 174423504
CID 67500547
CID 67500547
(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate
CID 20724342
dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228
dibenzofuran-2-yl 4-(trifluoromethyl)benzoate
CID 2472761

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate?
The IUPAC name of dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate (CID 167835618) is dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate.
What is the SMILES notation for dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate?
The canonical SMILES for dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate is O=C(/C=C/C1CC1)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate?
The InChIKey is GEVCWOZDKPRAGU-JXMROGBWSA-N. The full InChI is InChI=1S/C18H14O3/c19-18(10-7-12-5-6-12)20-13-8-9-17-15(11-13)14-3-1-2-4-16(14)21-17/h1-4,7-12H,5-6H2/b10-7+.
What are the key properties of dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate?
dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate has a molecular weight of 278.31 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate is sourced from PubChem (CID 167835618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).