dibenzofuran-2-yl 3-methylbut-2-enoate

C17H14O3 — CID 30707785

IUPACdibenzofuran-2-yl 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H14O3/c1-11(2)9-17(18)19-12-7-8-16-14(10-12)13-5-3-4-6-15(13)20-16/h3-10H,1-2H3
InChIKeyLOKHHXUMMDKKBW-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.46
Rot. Bonds2

About dibenzofuran-2-yl 3-methylbut-2-enoate

dibenzofuran-2-yl 3-methylbut-2-enoate (PubChem CID 30707785) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is dibenzofuran-2-yl 3-methylbut-2-enoate.

Molecular Properties

Compound Namedibenzofuran-2-yl 3-methylbut-2-enoate
PubChem CID30707785
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Namedibenzofuran-2-yl 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H14O3/c1-11(2)9-17(18)19-12-7-8-16-14(10-12)13-5-3-4-6-15(13)20-16/h3-10H,1-2H3
InChIKeyLOKHHXUMMDKKBW-UHFFFAOYSA-N
XLogP4.46
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
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 (E)-3-cyclopropylprop-2-enoate
CID 167835618
dibenzofuran-2-yl 3,5-dimethoxybenzoate
CID 4314506
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
dibenzofuran-2-yl 3-chlorobenzoate
CID 3985789
dibenzofuran-2-yl hydrogen sulfite
CID 174423504
CID 67500547
CID 67500547
dibenzofuran-2-yl N-hexylcarbamate
CID 15229767
dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate
CID 5147603
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228
dibenzofuran-2-yl 4-(trifluoromethyl)benzoate
CID 2472761
3-dibenzofuran-2-yloxybutanoic acid
CID 43536200

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 3-methylbut-2-enoate?
The IUPAC name of dibenzofuran-2-yl 3-methylbut-2-enoate (CID 30707785) is dibenzofuran-2-yl 3-methylbut-2-enoate.
What is the SMILES notation for dibenzofuran-2-yl 3-methylbut-2-enoate?
The canonical SMILES for dibenzofuran-2-yl 3-methylbut-2-enoate is CC(C)=CC(=O)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-yl 3-methylbut-2-enoate?
The InChIKey is LOKHHXUMMDKKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11(2)9-17(18)19-12-7-8-16-14(10-12)13-5-3-4-6-15(13)20-16/h3-10H,1-2H3.
What are the key properties of dibenzofuran-2-yl 3-methylbut-2-enoate?
dibenzofuran-2-yl 3-methylbut-2-enoate has a molecular weight of 266.30 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 3-methylbut-2-enoate is sourced from PubChem (CID 30707785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).