1-(4-methylphenyl)sulfinyl-2-propylbenzene

C16H18OS — CID 85436148

IUPAC1-(4-methylphenyl)sulfinyl-2-propylbenzene
SMILESCCCc1ccccc1S(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18OS/c1-3-6-14-7-4-5-8-16(14)18(17)15-11-9-13(2)10-12-15/h4-5,7-12H,3,6H2,1-2H3
InChIKeyXIUJJFFAJURVJH-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.11
Rot. Bonds4

About 1-(4-methylphenyl)sulfinyl-2-propylbenzene

1-(4-methylphenyl)sulfinyl-2-propylbenzene (PubChem CID 85436148) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfinyl-2-propylbenzene.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfinyl-2-propylbenzene
PubChem CID85436148
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-(4-methylphenyl)sulfinyl-2-propylbenzene
SMILESCCCc1ccccc1S(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18OS/c1-3-6-14-7-4-5-8-16(14)18(17)15-11-9-13(2)10-12-15/h4-5,7-12H,3,6H2,1-2H3
InChIKeyXIUJJFFAJURVJH-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane
CID 85436146
(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol
CID 102211608
sodium 2-propylbenzenesulfinate
CID 23668103
(3R)-2-iodo-3-[[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]methyl]pent-1-en-3-ol
CID 42624545
N-methyl-2-propylbenzenesulfinamide
CID 144853680
4-(benzenesulfinyl)-3-propylpyridine
CID 123859649
1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
CID 102101536
1-[4-(4-methylphenyl)phenyl]sulfinyl-3-propylbenzene
CID 58252653
1-[(1R)-1-bromoethyl]-2-(4-methylphenyl)sulfinylbenzene
CID 102282736
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
1-fluoro-3-(4-methylphenyl)sulfinyl-2-phenylbenzene
CID 119025559
4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline
CID 11991480

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfinyl-2-propylbenzene?
The IUPAC name of 1-(4-methylphenyl)sulfinyl-2-propylbenzene (CID 85436148) is 1-(4-methylphenyl)sulfinyl-2-propylbenzene.
What is the SMILES notation for 1-(4-methylphenyl)sulfinyl-2-propylbenzene?
The canonical SMILES for 1-(4-methylphenyl)sulfinyl-2-propylbenzene is CCCc1ccccc1S(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfinyl-2-propylbenzene?
The InChIKey is XIUJJFFAJURVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-3-6-14-7-4-5-8-16(14)18(17)15-11-9-13(2)10-12-15/h4-5,7-12H,3,6H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfinyl-2-propylbenzene?
1-(4-methylphenyl)sulfinyl-2-propylbenzene has a molecular weight of 258.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfinyl-2-propylbenzene is sourced from PubChem (CID 85436148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).