4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene

C16H18O2S — CID 91879142

IUPAC4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene
SMILESCCc1ccc(Sc2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C16H18O2S/c1-4-12-5-10-16(15(11-12)18-3)19-14-8-6-13(17-2)7-9-14/h5-11H,4H2,1-3H3
InChIKeyOQSIVCFZPSPQFH-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.42
Rot. Bonds5

About 4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene

4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene (PubChem CID 91879142) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene
PubChem CID91879142
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene
SMILESCCc1ccc(Sc2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C16H18O2S/c1-4-12-5-10-16(15(11-12)18-3)19-14-8-6-13(17-2)7-9-14/h5-11H,4H2,1-3H3
InChIKeyOQSIVCFZPSPQFH-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene
CID 91878147
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
4-ethyl-1-(4-methoxyphenyl)sulfanyl-2-nitrobenzene
CID 91879140
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-nitrobenzene
CID 91878907
1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
CID 91879154
[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136
2-[4-(2-ethyl-4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91878983
4-[4-(carboxymethyl)-2-methoxyphenyl]sulfanylbenzoic acid
CID 91878667
N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine
CID 63806495
methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate
CID 146311234
4-(4-ethylphenyl)sulfanyl-2-iodo-1-methoxybenzene
CID 91879120
2-[4-(4-iodo-2-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91877992

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene?
The IUPAC name of 4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene (CID 91879142) is 4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene?
The canonical SMILES for 4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene is CCc1ccc(Sc2ccc(OC)cc2)c(OC)c1.
What is the InChIKey of 4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene?
The InChIKey is OQSIVCFZPSPQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-4-12-5-10-16(15(11-12)18-3)19-14-8-6-13(17-2)7-9-14/h5-11H,4H2,1-3H3.
What are the key properties of 4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene?
4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene has a molecular weight of 274.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 91879142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).