1-methoxy-4-propan-2-yloxysulfanylbenzene

C10H14O2S — CID 19844341

IUPAC1-methoxy-4-propan-2-yloxysulfanylbenzene
SMILESCOc1ccc(SOC(C)C)cc1
InChIInChI=1S/C10H14O2S/c1-8(2)12-13-10-6-4-9(11-3)5-7-10/h4-8H,1-3H3
InChIKeyZYCBKCSRBUZIJJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.13
Rot. Bonds4

About 1-methoxy-4-propan-2-yloxysulfanylbenzene

1-methoxy-4-propan-2-yloxysulfanylbenzene (PubChem CID 19844341) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methoxy-4-propan-2-yloxysulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-4-propan-2-yloxysulfanylbenzene
PubChem CID19844341
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-methoxy-4-propan-2-yloxysulfanylbenzene
SMILESCOc1ccc(SOC(C)C)cc1
InChIInChI=1S/C10H14O2S/c1-8(2)12-13-10-6-4-9(11-3)5-7-10/h4-8H,1-3H3
InChIKeyZYCBKCSRBUZIJJ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-propan-2-yloxysulfanylbenzene?
The IUPAC name of 1-methoxy-4-propan-2-yloxysulfanylbenzene (CID 19844341) is 1-methoxy-4-propan-2-yloxysulfanylbenzene.
What is the SMILES notation for 1-methoxy-4-propan-2-yloxysulfanylbenzene?
The canonical SMILES for 1-methoxy-4-propan-2-yloxysulfanylbenzene is COc1ccc(SOC(C)C)cc1.
What is the InChIKey of 1-methoxy-4-propan-2-yloxysulfanylbenzene?
The InChIKey is ZYCBKCSRBUZIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8(2)12-13-10-6-4-9(11-3)5-7-10/h4-8H,1-3H3.
What are the key properties of 1-methoxy-4-propan-2-yloxysulfanylbenzene?
1-methoxy-4-propan-2-yloxysulfanylbenzene has a molecular weight of 198.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-propan-2-yloxysulfanylbenzene is sourced from PubChem (CID 19844341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).