4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene

C17H20O2S — CID 145463563

IUPAC4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene
SMILESCOc1ccc(OSc2ccc(C)cc2)c(C(C)C)c1
InChIInChI=1S/C17H20O2S/c1-12(2)16-11-14(18-4)7-10-17(16)19-20-15-8-5-13(3)6-9-15/h5-12H,1-4H3
InChIKeyJQNLJMRCFLSHNH-UHFFFAOYSA-N
MW288.41 g/mol
LogP5.21
Rot. Bonds5

About 4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene

4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene (PubChem CID 145463563) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene
PubChem CID145463563
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene
SMILESCOc1ccc(OSc2ccc(C)cc2)c(C(C)C)c1
InChIInChI=1S/C17H20O2S/c1-12(2)16-11-14(18-4)7-10-17(16)19-20-15-8-5-13(3)6-9-15/h5-12H,1-4H3
InChIKeyJQNLJMRCFLSHNH-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.41
LogP ≤ 55.21
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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Related Compounds

1-methoxy-4-propan-2-yloxysulfanylbenzene
CID 19844341
(5-iodo-4-methoxy-2-propan-2-ylphenyl) 4-methylbenzenesulfonate;(4-methoxy-2-propan-2-ylphenyl) 4-methylbenzenesulfonate
CID 157179404
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 31751278
4-methoxy-2-propan-2-ylbenzenethiol
CID 130435899
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
CID 59664827
1-(113C)methoxy-4-methylbenzene
CID 166176950
bis(4-methoxy-2-propan-2-ylphenyl)iodanium
CID 87757693
ethane;3-methoxy-4-(4-methylphenyl)sulfanyloxybenzaldehyde;propane
CID 145113229
1-[bromo-(2,5-dimethoxyphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863008
2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 63429668

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene?
The IUPAC name of 4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene (CID 145463563) is 4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene.
What is the SMILES notation for 4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene?
The canonical SMILES for 4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene is COc1ccc(OSc2ccc(C)cc2)c(C(C)C)c1.
What is the InChIKey of 4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene?
The InChIKey is JQNLJMRCFLSHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-12(2)16-11-14(18-4)7-10-17(16)19-20-15-8-5-13(3)6-9-15/h5-12H,1-4H3.
What are the key properties of 4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene?
4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene has a molecular weight of 288.41 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene is sourced from PubChem (CID 145463563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).