1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene

C17H20OS — CID 3045431

IUPAC1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene
SMILESCOc1ccc(C(Sc2ccccc2)C(C)C)cc1
InChIInChI=1S/C17H20OS/c1-13(2)17(19-16-7-5-4-6-8-16)14-9-11-15(18-3)12-10-14/h4-13,17H,1-3H3
InChIKeyUUFLSEWXDKQEOE-UHFFFAOYSA-N
MW272.41 g/mol
LogP5.18
Rot. Bonds5

About 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene

1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene (PubChem CID 3045431) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene
PubChem CID3045431
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene
SMILESCOc1ccc(C(Sc2ccccc2)C(C)C)cc1
InChIInChI=1S/C17H20OS/c1-13(2)17(19-16-7-5-4-6-8-16)14-9-11-15(18-3)12-10-14/h4-13,17H,1-3H3
InChIKeyUUFLSEWXDKQEOE-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene?
The IUPAC name of 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene (CID 3045431) is 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene.
What is the SMILES notation for 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene?
The canonical SMILES for 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene is COc1ccc(C(Sc2ccccc2)C(C)C)cc1.
What is the InChIKey of 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene?
The InChIKey is UUFLSEWXDKQEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-13(2)17(19-16-7-5-4-6-8-16)14-9-11-15(18-3)12-10-14/h4-13,17H,1-3H3.
What are the key properties of 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene?
1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene has a molecular weight of 272.41 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene is sourced from PubChem (CID 3045431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).