1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene

C30H30O3S2 — CID 71570344

IUPAC1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene
SMILESCOc1ccc(C(OC(c2ccc(OC)cc2)c2ccc(SC)cc2)c2ccc(SC)cc2)cc1
InChIInChI=1S/C30H30O3S2/c1-31-25-13-5-21(6-14-25)29(23-9-17-27(34-3)18-10-23)33-30(22-7-15-26(32-2)16-8-22)24-11-19-28(35-4)20-12-24/h5-20,29-30H,1-4H3
InChIKeyLEXXCKZBPIEVRS-UHFFFAOYSA-N
MW502.70 g/mol
LogP8.04
Rot. Bonds10

About 1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene

1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene (PubChem CID 71570344) has the molecular formula C30H30O3S2 and a molecular weight of 502.70 g/mol. Its IUPAC name is 1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene
PubChem CID71570344
Molecular FormulaC30H30O3S2
Molecular Weight502.70 g/mol
Exact Mass502.16
IUPAC Name1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene
SMILESCOc1ccc(C(OC(c2ccc(OC)cc2)c2ccc(SC)cc2)c2ccc(SC)cc2)cc1
InChIInChI=1S/C30H30O3S2/c1-31-25-13-5-21(6-14-25)29(23-9-17-27(34-3)18-10-23)33-30(22-7-15-26(32-2)16-8-22)24-11-19-28(35-4)20-12-24/h5-20,29-30H,1-4H3
InChIKeyLEXXCKZBPIEVRS-UHFFFAOYSA-N
XLogP8.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
CID 3960727
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane
CID 4585079
1-methoxy-4-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxy]methyl]benzene
CID 102295760
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215110
4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 62868006
2,2-dimethyl-1-(4-methylsulfanylphenyl)propan-1-one;1-(4-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 159934991
2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole
CID 102032244
1-(4-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methoxy]but-2-yn-1-ol
CID 56968386
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81354846

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene?
The IUPAC name of 1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene (CID 71570344) is 1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene is COc1ccc(C(OC(c2ccc(OC)cc2)c2ccc(SC)cc2)c2ccc(SC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene?
The InChIKey is LEXXCKZBPIEVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O3S2/c1-31-25-13-5-21(6-14-25)29(23-9-17-27(34-3)18-10-23)33-30(22-7-15-26(32-2)16-8-22)24-11-19-28(35-4)20-12-24/h5-20,29-30H,1-4H3.
What are the key properties of 1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene?
1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene has a molecular weight of 502.70 g/mol, XLogP of 8.04, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene is sourced from PubChem (CID 71570344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).