4-[1-(2-methylphenyl)ethenyl]dibenzofuran

C21H16O — CID 144645412

IUPAC4-[1-(2-methylphenyl)ethenyl]dibenzofuran
SMILESC=C(c1ccccc1C)c1cccc2c1oc1ccccc12
InChIInChI=1S/C21H16O/c1-14-8-3-4-9-16(14)15(2)17-11-7-12-19-18-10-5-6-13-20(18)22-21(17)19/h3-13H,2H2,1H3
InChIKeyAETLHVNYXMTKPS-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.96
Rot. Bonds2

About 4-[1-(2-methylphenyl)ethenyl]dibenzofuran

4-[1-(2-methylphenyl)ethenyl]dibenzofuran (PubChem CID 144645412) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[1-(2-methylphenyl)ethenyl]dibenzofuran.

Molecular Properties

Compound Name4-[1-(2-methylphenyl)ethenyl]dibenzofuran
PubChem CID144645412
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name4-[1-(2-methylphenyl)ethenyl]dibenzofuran
SMILESC=C(c1ccccc1C)c1cccc2c1oc1ccccc12
InChIInChI=1S/C21H16O/c1-14-8-3-4-9-16(14)15(2)17-11-7-12-19-18-10-5-6-13-20(18)22-21(17)19/h3-13H,2H2,1H3
InChIKeyAETLHVNYXMTKPS-UHFFFAOYSA-N
XLogP5.96
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-dibenzofuran-4-ylethanone
CID 15691981
4-pent-2-en-2-yldibenzofuran
CID 123566469
dibenzofuran-4-carboximidamide
CID 142482098
2-methyldibenzofuran-4-carboxylic acid
CID 167268287
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
3-deuterio-N-(2-deuterio-1-dibenzofuran-4-ylethenyl)-2-(trideuteriomethyl)prop-2-en-1-amine
CID 154588212
naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
4-methyldibenzofuran;(Z)-pent-3-en-2-imine
CID 145299521
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
1-dibenzofuran-4-yl-4-(1-methyldibenzofuran-4-yl)dibenzofuran
CID 153447937
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylphenyl)ethenyl]dibenzofuran?
The IUPAC name of 4-[1-(2-methylphenyl)ethenyl]dibenzofuran (CID 144645412) is 4-[1-(2-methylphenyl)ethenyl]dibenzofuran.
What is the SMILES notation for 4-[1-(2-methylphenyl)ethenyl]dibenzofuran?
The canonical SMILES for 4-[1-(2-methylphenyl)ethenyl]dibenzofuran is C=C(c1ccccc1C)c1cccc2c1oc1ccccc12.
What is the InChIKey of 4-[1-(2-methylphenyl)ethenyl]dibenzofuran?
The InChIKey is AETLHVNYXMTKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-14-8-3-4-9-16(14)15(2)17-11-7-12-19-18-10-5-6-13-20(18)22-21(17)19/h3-13H,2H2,1H3.
What are the key properties of 4-[1-(2-methylphenyl)ethenyl]dibenzofuran?
4-[1-(2-methylphenyl)ethenyl]dibenzofuran has a molecular weight of 284.36 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylphenyl)ethenyl]dibenzofuran is sourced from PubChem (CID 144645412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).