2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran

C22H28O — CID 143903536

IUPAC2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran
SMILESCC(C)(C)CC(c1ccc2oc3ccccc3c2c1)C(C)(C)C
InChIInChI=1S/C22H28O/c1-21(2,3)14-18(22(4,5)6)15-11-12-20-17(13-15)16-9-7-8-10-19(16)23-20/h7-13,18H,14H2,1-6H3
InChIKeyVPCQOZLWRVMAOG-UHFFFAOYSA-N
MW308.47 g/mol
LogP7.15
Rot. Bonds2

About 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran

2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran (PubChem CID 143903536) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran
PubChem CID143903536
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran
SMILESCC(C)(C)CC(c1ccc2oc3ccccc3c2c1)C(C)(C)C
InChIInChI=1S/C22H28O/c1-21(2,3)14-18(22(4,5)6)15-11-12-20-17(13-15)16-9-7-8-10-19(16)23-20/h7-13,18H,14H2,1-6H3
InChIKeyVPCQOZLWRVMAOG-UHFFFAOYSA-N
XLogP7.15
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran 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

2-(1-bromo-3,3-dimethylbutyl)dibenzofuran
CID 63437674
(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
2-[(1S)-1-chloroethyl]dibenzofuran
CID 129370090
1-dibenzofuran-2-yl-3-methylbutan-1-amine
CID 43100935
1-dibenzofuran-2-yl-2-methylpentan-1-ol
CID 63426339
N-(1-dibenzofuran-2-ylethyl)hydroxylamine
CID 14234879
(S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 176891324
1-dibenzofuran-2-ylhexan-1-ol
CID 63426377
4-amino-1-dibenzofuran-2-ylbutane-1,2-diol
CID 171882248
2-dibenzofuran-2-yl-N-methylpropanamide
CID 163614988
1-dibenzofuran-2-ylheptan-1-ol
CID 114753371

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran?
The IUPAC name of 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran (CID 143903536) is 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran.
What is the SMILES notation for 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran?
The canonical SMILES for 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran is CC(C)(C)CC(c1ccc2oc3ccccc3c2c1)C(C)(C)C.
What is the InChIKey of 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran?
The InChIKey is VPCQOZLWRVMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-21(2,3)14-18(22(4,5)6)15-11-12-20-17(13-15)16-9-7-8-10-19(16)23-20/h7-13,18H,14H2,1-6H3.
What are the key properties of 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran?
2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran has a molecular weight of 308.47 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran is sourced from PubChem (CID 143903536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).