1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene

C13H20O2S — CID 86117661

IUPAC1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene
SMILESCOCCC(C)(C)Sc1ccc(OC)cc1
InChIInChI=1S/C13H20O2S/c1-13(2,9-10-14-3)16-12-7-5-11(15-4)6-8-12/h5-8H,9-10H2,1-4H3
InChIKeyCJNPLAIXCZTSJD-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.60
Rot. Bonds6

About 1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene

1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene (PubChem CID 86117661) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene
PubChem CID86117661
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene
SMILESCOCCC(C)(C)Sc1ccc(OC)cc1
InChIInChI=1S/C13H20O2S/c1-13(2,9-10-14-3)16-12-7-5-11(15-4)6-8-12/h5-8H,9-10H2,1-4H3
InChIKeyCJNPLAIXCZTSJD-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)sulfanyl-3-methylbutanoyl chloride
CID 22323720
N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide
CID 57116563
4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
CID 117032804
bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium
CID 23361439
1-[1,1-bis(phenylsulfanyl)ethyl]-4-methoxybenzene
CID 102387106
6-(4-methoxyphenyl)sulfanyl-2,2-dimethylhexanenitrile
CID 106712580
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
4-methoxy-2-(4-methoxy-2-methylphenyl)butan-2-amine
CID 65313648
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene?
The IUPAC name of 1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene (CID 86117661) is 1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene.
What is the SMILES notation for 1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene?
The canonical SMILES for 1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene is COCCC(C)(C)Sc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene?
The InChIKey is CJNPLAIXCZTSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-13(2,9-10-14-3)16-12-7-5-11(15-4)6-8-12/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene?
1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene has a molecular weight of 240.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene is sourced from PubChem (CID 86117661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).