4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene

C13H20OS — CID 171366460

IUPAC4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene
SMILESCSc1ccc(OC(C)C)c(C(C)C)c1
InChIInChI=1S/C13H20OS/c1-9(2)12-8-11(15-5)6-7-13(12)14-10(3)4/h6-10H,1-5H3
InChIKeySCZQOYNVBGKXRN-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.32
Rot. Bonds4

About 4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene

4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene (PubChem CID 171366460) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene
PubChem CID171366460
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene
SMILESCSc1ccc(OC(C)C)c(C(C)C)c1
InChIInChI=1S/C13H20OS/c1-9(2)12-8-11(15-5)6-7-13(12)14-10(3)4/h6-10H,1-5H3
InChIKeySCZQOYNVBGKXRN-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene?
The IUPAC name of 4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene (CID 171366460) is 4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene.
What is the SMILES notation for 4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene?
The canonical SMILES for 4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene is CSc1ccc(OC(C)C)c(C(C)C)c1.
What is the InChIKey of 4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene?
The InChIKey is SCZQOYNVBGKXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-9(2)12-8-11(15-5)6-7-13(12)14-10(3)4/h6-10H,1-5H3.
What are the key properties of 4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene?
4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene has a molecular weight of 224.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene is sourced from PubChem (CID 171366460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).