(4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate

C22H16O3 — CID 67087505

IUPAC(4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C22H16O3/c1-14(2)22(23)24-16-12-10-15(11-13-16)17-7-5-8-19-18-6-3-4-9-20(18)25-21(17)19/h3-13H,1H2,2H3
InChIKeyCDFSZONBNMKQCD-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.73
Rot. Bonds3

About (4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate

(4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate (PubChem CID 67087505) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate
PubChem CID67087505
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name(4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C22H16O3/c1-14(2)22(23)24-16-12-10-15(11-13-16)17-7-5-8-19-18-6-3-4-9-20(18)25-21(17)19/h3-13H,1H2,2H3
InChIKeyCDFSZONBNMKQCD-UHFFFAOYSA-N
XLogP5.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.73
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

[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate
CID 146664163
[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate
CID 122370151
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
CID 129199601
4-(4-dibenzofuran-4-ylphenyl)aniline
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4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
4-(4-propylphenyl)dibenzofuran
CID 156827246
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone
CID 142604922

Frequently Asked Questions

What is the IUPAC name of (4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate (CID 67087505) is (4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of (4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate?
The InChIKey is CDFSZONBNMKQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c1-14(2)22(23)24-16-12-10-15(11-13-16)17-7-5-8-19-18-6-3-4-9-20(18)25-21(17)19/h3-13H,1H2,2H3.
What are the key properties of (4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate?
(4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate has a molecular weight of 328.37 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 67087505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).