1-methoxy-4-(1-phenylsulfanylbutyl)benzene

C17H20OS — CID 3045432

IUPAC1-methoxy-4-(1-phenylsulfanylbutyl)benzene
SMILESCCCC(Sc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20OS/c1-3-7-17(19-16-8-5-4-6-9-16)14-10-12-15(18-2)13-11-14/h4-6,8-13,17H,3,7H2,1-2H3
InChIKeyPJQVDTJIZNYTEX-UHFFFAOYSA-N
MW272.41 g/mol
LogP5.33
Rot. Bonds6

About 1-methoxy-4-(1-phenylsulfanylbutyl)benzene

1-methoxy-4-(1-phenylsulfanylbutyl)benzene (PubChem CID 3045432) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-methoxy-4-(1-phenylsulfanylbutyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(1-phenylsulfanylbutyl)benzene
PubChem CID3045432
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-methoxy-4-(1-phenylsulfanylbutyl)benzene
SMILESCCCC(Sc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20OS/c1-3-7-17(19-16-8-5-4-6-9-16)14-10-12-15(18-2)13-11-14/h4-6,8-13,17H,3,7H2,1-2H3
InChIKeyPJQVDTJIZNYTEX-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-4-(1-phenylsulfanylbutyl)benzene 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-4-(1-phenylsulfanylbutyl)benzene?
The IUPAC name of 1-methoxy-4-(1-phenylsulfanylbutyl)benzene (CID 3045432) is 1-methoxy-4-(1-phenylsulfanylbutyl)benzene.
What is the SMILES notation for 1-methoxy-4-(1-phenylsulfanylbutyl)benzene?
The canonical SMILES for 1-methoxy-4-(1-phenylsulfanylbutyl)benzene is CCCC(Sc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(1-phenylsulfanylbutyl)benzene?
The InChIKey is PJQVDTJIZNYTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-3-7-17(19-16-8-5-4-6-9-16)14-10-12-15(18-2)13-11-14/h4-6,8-13,17H,3,7H2,1-2H3.
What are the key properties of 1-methoxy-4-(1-phenylsulfanylbutyl)benzene?
1-methoxy-4-(1-phenylsulfanylbutyl)benzene has a molecular weight of 272.41 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1-phenylsulfanylbutyl)benzene is sourced from PubChem (CID 3045432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).