1-methoxy-4-(1-phenylsulfanylethyl)benzene

C15H16OS — CID 3045428

IUPAC1-methoxy-4-(1-phenylsulfanylethyl)benzene
SMILESCOc1ccc(C(C)Sc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-12(17-15-6-4-3-5-7-15)13-8-10-14(16-2)11-9-13/h3-12H,1-2H3
InChIKeyJGRFRCLDUNTABF-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.55
Rot. Bonds4

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

1-methoxy-4-(1-phenylsulfanylethyl)benzene (PubChem CID 3045428) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-methoxy-4-(1-phenylsulfanylethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(1-phenylsulfanylethyl)benzene
PubChem CID3045428
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-methoxy-4-(1-phenylsulfanylethyl)benzene
SMILESCOc1ccc(C(C)Sc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-12(17-15-6-4-3-5-7-15)13-8-10-14(16-2)11-9-13/h3-12H,1-2H3
InChIKeyJGRFRCLDUNTABF-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Bis(4-methoxyphenyl)thiophene
CID 3552928
4-Methoxy-alpha-toluenethiol
CID 80407
4,4'-Dimethoxythiobenzophenone
CID 70394
1-Methoxy-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10131479
3-(4-Methoxy-benzenesulfonyl)-4-phenyl-butane-1-thiol
CID 19366830
2-Fluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9902810
1-Iodo-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 65489349
P-Methoxystilbene
CID 1245920
Thiocyanic acid, 4-phenoxybenzyl ester
CID 3056931
4,5-Bis(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 44564508
3-Methoxy-4'-methylthio-trans-stilbene
CID 70695190
3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene
CID 11820631

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1-phenylsulfanylethyl)benzene?
The IUPAC name of 1-methoxy-4-(1-phenylsulfanylethyl)benzene (CID 3045428) is 1-methoxy-4-(1-phenylsulfanylethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(1-phenylsulfanylethyl)benzene?
The canonical SMILES for 1-methoxy-4-(1-phenylsulfanylethyl)benzene is COc1ccc(C(C)Sc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(1-phenylsulfanylethyl)benzene?
The InChIKey is JGRFRCLDUNTABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-12(17-15-6-4-3-5-7-15)13-8-10-14(16-2)11-9-13/h3-12H,1-2H3.
What are the key properties of 1-methoxy-4-(1-phenylsulfanylethyl)benzene?
1-methoxy-4-(1-phenylsulfanylethyl)benzene has a molecular weight of 244.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1-phenylsulfanylethyl)benzene is sourced from PubChem (CID 3045428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).