1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene

C16H18O2S — CID 18738928

IUPAC1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
SMILESCOc1cc(C)c(Sc2ccccc2OC)cc1C
InChIInChI=1S/C16H18O2S/c1-11-10-16(12(2)9-14(11)18-4)19-15-8-6-5-7-13(15)17-3/h5-10H,1-4H3
InChIKeyMFRDMLAZFMTSEJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.47
Rot. Bonds4

About 1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene

1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene (PubChem CID 18738928) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
PubChem CID18738928
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
SMILESCOc1cc(C)c(Sc2ccccc2OC)cc1C
InChIInChI=1S/C16H18O2S/c1-11-10-16(12(2)9-14(11)18-4)19-15-8-6-5-7-13(15)17-3/h5-10H,1-4H3
InChIKeyMFRDMLAZFMTSEJ-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine
CID 63819707
1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene
CID 10515507
2-(2-methoxyphenyl)sulfanylbenzaldehyde
CID 12946428
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-(2-methoxy-5-methylphenyl)sulfanylaniline
CID 82118800
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 10107352
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene
CID 54020197

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene?
The IUPAC name of 1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene (CID 18738928) is 1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene.
What is the SMILES notation for 1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene?
The canonical SMILES for 1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene is COc1cc(C)c(Sc2ccccc2OC)cc1C.
What is the InChIKey of 1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene?
The InChIKey is MFRDMLAZFMTSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-11-10-16(12(2)9-14(11)18-4)19-15-8-6-5-7-13(15)17-3/h5-10H,1-4H3.
What are the key properties of 1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene?
1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene has a molecular weight of 274.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene is sourced from PubChem (CID 18738928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).