2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene

C16H18OS — CID 13052775

IUPAC2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
SMILESCOc1ccc(Sc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C16H18OS/c1-11-9-12(2)16(13(3)10-11)18-15-7-5-14(17-4)6-8-15/h5-10H,1-4H3
InChIKeyJUCOTJKNSAGSJA-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.77
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene

2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene (PubChem CID 13052775) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
PubChem CID13052775
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
SMILESCOc1ccc(Sc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C16H18OS/c1-11-9-12(2)16(13(3)10-11)18-15-7-5-14(17-4)6-8-15/h5-10H,1-4H3
InChIKeyJUCOTJKNSAGSJA-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
CID 102434842
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
3-(4-methoxyphenyl)sulfanyl-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
CID 135008910
3,5-difluoro-4-(4-methoxyphenyl)sulfanylaniline
CID 54902347
4-(4-methoxyphenyl)sulfanyl-3,5-dimethyl-1H-pyrazole
CID 139234715
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64622083
4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine
CID 142740939

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene (CID 13052775) is 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene is COc1ccc(Sc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene?
The InChIKey is JUCOTJKNSAGSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-11-9-12(2)16(13(3)10-11)18-15-7-5-14(17-4)6-8-15/h5-10H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene?
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene has a molecular weight of 258.39 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene is sourced from PubChem (CID 13052775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).