1-methoxy-2-methyl-4-phenylsulfanylbenzene

C14H14OS — CID 14959925

IUPAC1-methoxy-2-methyl-4-phenylsulfanylbenzene
SMILESCOc1ccc(Sc2ccccc2)cc1C
InChIInChI=1S/C14H14OS/c1-11-10-13(8-9-14(11)15-2)16-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyWDEFHMRCIQAGLN-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.15
Rot. Bonds3

About 1-methoxy-2-methyl-4-phenylsulfanylbenzene

1-methoxy-2-methyl-4-phenylsulfanylbenzene (PubChem CID 14959925) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-phenylsulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-phenylsulfanylbenzene
PubChem CID14959925
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-methoxy-2-methyl-4-phenylsulfanylbenzene
SMILESCOc1ccc(Sc2ccccc2)cc1C
InChIInChI=1S/C14H14OS/c1-11-10-13(8-9-14(11)15-2)16-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyWDEFHMRCIQAGLN-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-2-methyl-4-phenylsulfanylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-phenylsulfanylbenzene?
The IUPAC name of 1-methoxy-2-methyl-4-phenylsulfanylbenzene (CID 14959925) is 1-methoxy-2-methyl-4-phenylsulfanylbenzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-phenylsulfanylbenzene?
The canonical SMILES for 1-methoxy-2-methyl-4-phenylsulfanylbenzene is COc1ccc(Sc2ccccc2)cc1C.
What is the InChIKey of 1-methoxy-2-methyl-4-phenylsulfanylbenzene?
The InChIKey is WDEFHMRCIQAGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-11-10-13(8-9-14(11)15-2)16-12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 1-methoxy-2-methyl-4-phenylsulfanylbenzene?
1-methoxy-2-methyl-4-phenylsulfanylbenzene has a molecular weight of 230.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-phenylsulfanylbenzene is sourced from PubChem (CID 14959925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).