1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene

C15H16O2S — CID 10515507

IUPAC1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene
SMILESCOc1cc(OC)c(Sc2ccccc2)cc1C
InChIInChI=1S/C15H16O2S/c1-11-9-15(14(17-3)10-13(11)16-2)18-12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyTYHZRTQUQPUHNZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.16
Rot. Bonds4

About 1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene

1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene (PubChem CID 10515507) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene.

Molecular Properties

Compound Name1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene
PubChem CID10515507
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene
SMILESCOc1cc(OC)c(Sc2ccccc2)cc1C
InChIInChI=1S/C15H16O2S/c1-11-9-15(14(17-3)10-13(11)16-2)18-12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyTYHZRTQUQPUHNZ-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene?
The IUPAC name of 1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene (CID 10515507) is 1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene.
What is the SMILES notation for 1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene?
The canonical SMILES for 1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene is COc1cc(OC)c(Sc2ccccc2)cc1C.
What is the InChIKey of 1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene?
The InChIKey is TYHZRTQUQPUHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11-9-15(14(17-3)10-13(11)16-2)18-12-7-5-4-6-8-12/h4-10H,1-3H3.
What are the key properties of 1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene?
1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene has a molecular weight of 260.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene is sourced from PubChem (CID 10515507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).