1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene

C18H22O2S — CID 143419768

IUPAC1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)c(OSc2ccc(C)cc2)cc1C
InChIInChI=1S/C18H22O2S/c1-12(2)16-11-17(19-5)14(4)10-18(16)20-21-15-8-6-13(3)7-9-15/h6-12H,1-5H3
InChIKeyKBJHMHYOVFISOV-UHFFFAOYSA-N
MW302.44 g/mol
LogP5.52
Rot. Bonds5

About 1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene

1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene (PubChem CID 143419768) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene
PubChem CID143419768
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)c(OSc2ccc(C)cc2)cc1C
InChIInChI=1S/C18H22O2S/c1-12(2)16-11-17(19-5)14(4)10-18(16)20-21-15-8-6-13(3)7-9-15/h6-12H,1-5H3
InChIKeyKBJHMHYOVFISOV-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 55.52
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

4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene
CID 145463563
1-methoxy-2-methyl-5-propan-2-yl-4-propan-2-yloxybenzene
CID 134182068
4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
CID 146675441
(2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene
CID 59237990
4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004564
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene
CID 122534307
ethane;3-methoxy-4-(4-methylphenyl)sulfanyloxybenzaldehyde;propane
CID 145113229
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950
1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene
CID 63435129
1-[bromo-(4-methylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443811
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene?
The IUPAC name of 1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene (CID 143419768) is 1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene?
The canonical SMILES for 1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene is COc1cc(C(C)C)c(OSc2ccc(C)cc2)cc1C.
What is the InChIKey of 1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene?
The InChIKey is KBJHMHYOVFISOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-12(2)16-11-17(19-5)14(4)10-18(16)20-21-15-8-6-13(3)7-9-15/h6-12H,1-5H3.
What are the key properties of 1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene?
1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene has a molecular weight of 302.44 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene is sourced from PubChem (CID 143419768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).