1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene

C20H26OS — CID 139793494

IUPAC1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene
SMILESCC(C)Cc1ccc(S(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C20H26OS/c1-15(2)13-17-5-9-19(10-6-17)22(21)20-11-7-18(8-12-20)14-16(3)4/h5-12,15-16H,13-14H2,1-4H3
InChIKeyADHUGOWHPSVGOS-UHFFFAOYSA-N
MW314.49 g/mol
LogP5.25
Rot. Bonds6

About 1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene

1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene (PubChem CID 139793494) has the molecular formula C20H26OS and a molecular weight of 314.49 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene
PubChem CID139793494
Molecular FormulaC20H26OS
Molecular Weight314.49 g/mol
Exact Mass314.17
IUPAC Name1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene
SMILESCC(C)Cc1ccc(S(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C20H26OS/c1-15(2)13-17-5-9-19(10-6-17)22(21)20-11-7-18(8-12-20)14-16(3)4/h5-12,15-16H,13-14H2,1-4H3
InChIKeyADHUGOWHPSVGOS-UHFFFAOYSA-N
XLogP5.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
[4-(2-methylpropyl)phenyl] thiohypofluorite
CID 143247529
2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde
CID 105465847
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
ethane;4-(2-methylpropyl)benzenethiol
CID 143751683
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene
CID 146269856
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-[4-(2-methylpropyl)phenyl]but-3-enal
CID 170482081
ethane;2-methylpropylbenzene
CID 162200929
1-(2-methylpropyl)-4-(nitromethyl)benzene
CID 139904795

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene?
The IUPAC name of 1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene (CID 139793494) is 1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene?
The canonical SMILES for 1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene is CC(C)Cc1ccc(S(=O)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene?
The InChIKey is ADHUGOWHPSVGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OS/c1-15(2)13-17-5-9-19(10-6-17)22(21)20-11-7-18(8-12-20)14-16(3)4/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene?
1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene has a molecular weight of 314.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene is sourced from PubChem (CID 139793494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).