[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene

C20H26S — CID 66796999

IUPAC[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
SMILESCC(C)(Cc1ccccc1)SC(C)(C)Cc1ccccc1
InChIInChI=1S/C20H26S/c1-19(2,15-17-11-7-5-8-12-17)21-20(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3
InChIKeyIJJLXQQNKDROJF-UHFFFAOYSA-N
MW298.50 g/mol
LogP5.76
Rot. Bonds6

About [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene

[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene (PubChem CID 66796999) has the molecular formula C20H26S and a molecular weight of 298.50 g/mol. Its IUPAC name is [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene.

Molecular Properties

Compound Name[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
PubChem CID66796999
Molecular FormulaC20H26S
Molecular Weight298.50 g/mol
Exact Mass298.18
IUPAC Name[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
SMILESCC(C)(Cc1ccccc1)SC(C)(C)Cc1ccccc1
InChIInChI=1S/C20H26S/c1-19(2,15-17-11-7-5-8-12-17)21-20(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3
InChIKeyIJJLXQQNKDROJF-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.50
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene 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-methyl-1,3-diphenylpropan-2-yl)azanium chloride
CID 110174053
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2,2-dimethylpropylbenzene;methanol
CID 157125736
(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene
CID 140921791
(2-ethyl-2-methylbutyl)benzene
CID 123641908
[2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene
CID 23432766
(2-methoxy-2-methylpropyl)benzene
CID 3842751
azane;2,2-dimethylbutylbenzene
CID 175285583
dimethyl-(2-methyl-1,3-diphenylpropan-2-yl)-λ3-iodane
CID 147576480
carbanide;methane;2,2,3,3-tetramethylbutylbenzene;yttrium
CID 159776483
1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene
CID 134233499
2-acetylsulfanyl-2-methyl-3-phenylpropanoic acid
CID 19764761

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene?
The IUPAC name of [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene (CID 66796999) is [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene.
What is the SMILES notation for [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene?
The canonical SMILES for [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene is CC(C)(Cc1ccccc1)SC(C)(C)Cc1ccccc1.
What is the InChIKey of [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene?
The InChIKey is IJJLXQQNKDROJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26S/c1-19(2,15-17-11-7-5-8-12-17)21-20(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3.
What are the key properties of [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene?
[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene has a molecular weight of 298.50 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene is sourced from PubChem (CID 66796999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).