ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene

C17H22OS — CID 91259984

IUPACethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
SMILESCC.COc1ccc(CSc2ccccc2C)cc1
InChIInChI=1S/C15H16OS.C2H6/c1-12-5-3-4-6-15(12)17-11-13-7-9-14(16-2)10-8-13;1-2/h3-10H,11H2,1-2H3;1-2H3
InChIKeyZYULJAHASJNORD-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.32
Rot. Bonds4

About ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene

ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene (PubChem CID 91259984) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene.

Molecular Properties

Compound Nameethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
PubChem CID91259984
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Nameethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
SMILESCC.COc1ccc(CSc2ccccc2C)cc1
InChIInChI=1S/C15H16OS.C2H6/c1-12-5-3-4-6-15(12)17-11-13-7-9-14(16-2)10-8-13;1-2/h3-10H,11H2,1-2H3;1-2H3
InChIKeyZYULJAHASJNORD-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
acetaldehyde;1-benzylsulfanyl-2-methylbenzene
CID 142946085
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 130378500
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
1-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]-2-nitrobenzene
CID 141445508
N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine
CID 15326220
2-[(4-methoxyphenyl)methylsulfanyl]-1-methylpyridin-1-ium chloride
CID 13434923
2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793492
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 144942849
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene?
The IUPAC name of ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene (CID 91259984) is ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene.
What is the SMILES notation for ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene?
The canonical SMILES for ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene is CC.COc1ccc(CSc2ccccc2C)cc1.
What is the InChIKey of ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene?
The InChIKey is ZYULJAHASJNORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS.C2H6/c1-12-5-3-4-6-15(12)17-11-13-7-9-14(16-2)10-8-13;1-2/h3-10H,11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene?
ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene has a molecular weight of 274.43 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene is sourced from PubChem (CID 91259984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).