4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene

C17H20O2S — CID 19370417

IUPAC4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene
SMILESCOc1ccc(CCc2ccc(OC)cc2SC)cc1
InChIInChI=1S/C17H20O2S/c1-18-15-9-5-13(6-10-15)4-7-14-8-11-16(19-2)12-17(14)20-3/h5-6,8-12H,4,7H2,1-3H3
InChIKeyGIKCTBVKXVAJBY-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.21
Rot. Bonds6

About 4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene

4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene (PubChem CID 19370417) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene.

Molecular Properties

Compound Name4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene
PubChem CID19370417
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene
SMILESCOc1ccc(CCc2ccc(OC)cc2SC)cc1
InChIInChI=1S/C17H20O2S/c1-18-15-9-5-13(6-10-15)4-7-14-8-11-16(19-2)12-17(14)20-3/h5-6,8-12H,4,7H2,1-3H3
InChIKeyGIKCTBVKXVAJBY-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2-methylsulfanylphenyl)ethanesulfonyl chloride
CID 84811999
N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine
CID 84782925
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115803243
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene?
The IUPAC name of 4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene (CID 19370417) is 4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene.
What is the SMILES notation for 4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene?
The canonical SMILES for 4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene is COc1ccc(CCc2ccc(OC)cc2SC)cc1.
What is the InChIKey of 4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene?
The InChIKey is GIKCTBVKXVAJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-18-15-9-5-13(6-10-15)4-7-14-8-11-16(19-2)12-17(14)20-3/h5-6,8-12H,4,7H2,1-3H3.
What are the key properties of 4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene?
4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene has a molecular weight of 288.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene is sourced from PubChem (CID 19370417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).