2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene

C17H20O3S — CID 135030855

IUPAC2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(Sc2ccc(C)cc2C)c(OC)c1
InChIInChI=1S/C17H20O3S/c1-11-6-7-16(12(2)8-11)21-17-14(19-4)9-13(18-3)10-15(17)20-5/h6-10H,1-5H3
InChIKeyDLFCYFJOERMRCO-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.48
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene

2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene (PubChem CID 135030855) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene
PubChem CID135030855
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(Sc2ccc(C)cc2C)c(OC)c1
InChIInChI=1S/C17H20O3S/c1-11-6-7-16(12(2)8-11)21-17-14(19-4)9-13(18-3)10-15(17)20-5/h6-10H,1-5H3
InChIKeyDLFCYFJOERMRCO-UHFFFAOYSA-N
XLogP4.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene (CID 135030855) is 2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene is COc1cc(OC)c(Sc2ccc(C)cc2C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene?
The InChIKey is DLFCYFJOERMRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-11-6-7-16(12(2)8-11)21-17-14(19-4)9-13(18-3)10-15(17)20-5/h6-10H,1-5H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene?
2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene has a molecular weight of 304.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene is sourced from PubChem (CID 135030855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).