dibenzofuran-3-ylmethyl prop-2-enoate

C16H12O3 — CID 90268477

IUPACdibenzofuran-3-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C16H12O3/c1-2-16(17)18-10-11-7-8-13-12-5-3-4-6-14(12)19-15(13)9-11/h2-9H,1,10H2
InChIKeyDHJGJJCTWZPMRW-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.82
Rot. Bonds3

About dibenzofuran-3-ylmethyl prop-2-enoate

dibenzofuran-3-ylmethyl prop-2-enoate (PubChem CID 90268477) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is dibenzofuran-3-ylmethyl prop-2-enoate.

Molecular Properties

Compound Namedibenzofuran-3-ylmethyl prop-2-enoate
PubChem CID90268477
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Namedibenzofuran-3-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C16H12O3/c1-2-16(17)18-10-11-7-8-13-12-5-3-4-6-14(12)19-15(13)9-11/h2-9H,1,10H2
InChIKeyDHJGJJCTWZPMRW-UHFFFAOYSA-N
XLogP3.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.82
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

CID 159481428
CID 159481428
2-benzofuran-5-ylmethyl prop-2-enoate
CID 174509033
3-benzyldibenzofuran;hydrazine;methanimine
CID 142504911
3-ethyldibenzofuran
CID 58510747
7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 170228909
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
4-[3-[12-[3-(prop-2-enoyloxymethyl)phenyl]chrysen-6-yl]phenyl]butyl prop-2-enoate
CID 118933483
1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea
CID 21293770
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634
6-(2-oxochromen-4-yl)sulfonylhexyl prop-2-enoate
CID 167114767
benzyl 4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine-2-carboxylate
CID 146630792

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-3-ylmethyl prop-2-enoate?
The IUPAC name of dibenzofuran-3-ylmethyl prop-2-enoate (CID 90268477) is dibenzofuran-3-ylmethyl prop-2-enoate.
What is the SMILES notation for dibenzofuran-3-ylmethyl prop-2-enoate?
The canonical SMILES for dibenzofuran-3-ylmethyl prop-2-enoate is C=CC(=O)OCc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran-3-ylmethyl prop-2-enoate?
The InChIKey is DHJGJJCTWZPMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-2-16(17)18-10-11-7-8-13-12-5-3-4-6-14(12)19-15(13)9-11/h2-9H,1,10H2.
What are the key properties of dibenzofuran-3-ylmethyl prop-2-enoate?
dibenzofuran-3-ylmethyl prop-2-enoate has a molecular weight of 252.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-3-ylmethyl prop-2-enoate is sourced from PubChem (CID 90268477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).