1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene

C14H14O2S — CID 618860

IUPAC1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14O2S/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
InChIKeyUKHKZGJCPDWXQY-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.86
Rot. Bonds4

About 1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene

1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene (PubChem CID 618860) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
PubChem CID618860
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14O2S/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
InChIKeyUKHKZGJCPDWXQY-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenoxathiin
CID 9217
4-Methoxybenzenethiol
CID 12765
SB-3CT
CID 9883002
4-(4-Allyloxy-benzenesulfonyl)-phenol
CID 2054598
3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol
CID 10267279
1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
1-Methoxy-4-(methylthio)benzene
CID 15885
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol
CID 15516780
1-(4-Methoxy-benzenesulfonyl)-heptane-3-thiol
CID 15516781
3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol
CID 18411961
3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiol
CID 19366816

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
The IUPAC name of 1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene (CID 618860) is 1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
The canonical SMILES for 1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene is COc1ccc(Sc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
The InChIKey is UKHKZGJCPDWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3.
What are the key properties of 1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene has a molecular weight of 246.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 618860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).