3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran

C23H22O — CID 156573505

IUPAC3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran
SMILESCC(C)(C)Cc1cccc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C23H22O/c1-23(2,3)15-16-7-6-8-17(13-16)18-11-12-20-19-9-4-5-10-21(19)24-22(20)14-18/h4-14H,15H2,1-3H3
InChIKeyRJVDEKSDFXWRQY-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.84
Rot. Bonds2

About 3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran

3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran (PubChem CID 156573505) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran
PubChem CID156573505
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran
SMILESCC(C)(C)Cc1cccc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C23H22O/c1-23(2,3)15-16-7-6-8-17(13-16)18-11-12-20-19-9-4-5-10-21(19)24-22(20)14-18/h4-14H,15H2,1-3H3
InChIKeyRJVDEKSDFXWRQY-UHFFFAOYSA-N
XLogP6.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
3-(3-methylphenyl)dibenzofuran
CID 70924364
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989313
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
CID 58991814
3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167001747
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
3-benzyl-7-(3-phenylphenyl)dibenzofuran
CID 162363334
9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran
CID 123472121

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran?
The IUPAC name of 3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran (CID 156573505) is 3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran.
What is the SMILES notation for 3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran?
The canonical SMILES for 3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran is CC(C)(C)Cc1cccc(-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of 3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran?
The InChIKey is RJVDEKSDFXWRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-23(2,3)15-16-7-6-8-17(13-16)18-11-12-20-19-9-4-5-10-21(19)24-22(20)14-18/h4-14H,15H2,1-3H3.
What are the key properties of 3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran?
3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran has a molecular weight of 314.43 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran is sourced from PubChem (CID 156573505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).