4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane

C21H28O — CID 144782622

IUPAC4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane
SMILESCCC.CCc1c(C)c(C(C)C)cc2c1oc1ccccc12
InChIInChI=1S/C18H20O.C3H8/c1-5-13-12(4)15(11(2)3)10-16-14-8-6-7-9-17(14)19-18(13)16;1-3-2/h6-11H,5H2,1-4H3;3H2,1-2H3
InChIKeyYSBOPNNBTKYLNH-UHFFFAOYSA-N
MW296.45 g/mol
LogP7.00
Rot. Bonds2

About 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane

4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane (PubChem CID 144782622) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane.

Molecular Properties

Compound Name4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane
PubChem CID144782622
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane
SMILESCCC.CCc1c(C)c(C(C)C)cc2c1oc1ccccc12
InChIInChI=1S/C18H20O.C3H8/c1-5-13-12(4)15(11(2)3)10-16-14-8-6-7-9-17(14)19-18(13)16;1-3-2/h6-11H,5H2,1-4H3;3H2,1-2H3
InChIKeyYSBOPNNBTKYLNH-UHFFFAOYSA-N
XLogP7.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-3-methyl-2-propan-2-yldibenzofuran
CID 144782623
1,4-dimethyl-3-propan-2-yldibenzofuran
CID 144782637
1,3-di(propan-2-yl)dibenzofuran-4-amine
CID 58400957
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane
CID 144650095
2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
CID 82379660
4-bromo-2-propan-2-yldibenzofuran
CID 166912960
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
CID 169027952
1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)
CID 171723096
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(3-ethyldibenzofuran-4-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 146923994
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane?
The IUPAC name of 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane (CID 144782622) is 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane.
What is the SMILES notation for 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane?
The canonical SMILES for 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane is CCC.CCc1c(C)c(C(C)C)cc2c1oc1ccccc12.
What is the InChIKey of 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane?
The InChIKey is YSBOPNNBTKYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O.C3H8/c1-5-13-12(4)15(11(2)3)10-16-14-8-6-7-9-17(14)19-18(13)16;1-3-2/h6-11H,5H2,1-4H3;3H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane?
4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane has a molecular weight of 296.45 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane is sourced from PubChem (CID 144782622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).