ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene

C35H48O5S — CID 91541647

IUPACethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
SMILESCC.CC.CC.CC.COc1ccc(Cc2ccc(Oc3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H24O5S.4C2H6/c1-30-22-7-3-20(4-8-22)19-21-5-9-24(10-6-21)32-25-13-17-27(18-14-25)33(28,29)26-15-11-23(31-2)12-16-26;4*1-2/h3-18H,19H2,1-2H3;4*1-2H3
InChIKeyATRDCWKIKNXCRQ-UHFFFAOYSA-N
MW580.83 g/mol
LogP10.02
Rot. Bonds8

About ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene

ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene (PubChem CID 91541647) has the molecular formula C35H48O5S and a molecular weight of 580.83 g/mol. Its IUPAC name is ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene.

Molecular Properties

Compound Nameethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
PubChem CID91541647
Molecular FormulaC35H48O5S
Molecular Weight580.83 g/mol
Exact Mass580.32
IUPAC Nameethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
SMILESCC.CC.CC.CC.COc1ccc(Cc2ccc(Oc3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H24O5S.4C2H6/c1-30-22-7-3-20(4-8-22)19-21-5-9-24(10-6-21)32-25-13-17-27(18-14-25)33(28,29)26-15-11-23(31-2)12-16-26;4*1-2/h3-18H,19H2,1-2H3;4*1-2H3
InChIKeyATRDCWKIKNXCRQ-UHFFFAOYSA-N
XLogP10.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.83
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]phenyl]sulfonyl-1,2-dimethylbenzene
CID 58427648
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
CID 90128560
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
2,2-dimethylpropane;methane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methylsulfonylmethane;propan-2-one
CID 159572893
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158013343
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
CID 118689702
[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 58021566
ethane;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-4-methylbenzene;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenyl]phenyl]sulfonyl-4-methylbenzene
CID 158604521

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene?
The IUPAC name of ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene (CID 91541647) is ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene.
What is the SMILES notation for ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene?
The canonical SMILES for ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene is CC.CC.CC.CC.COc1ccc(Cc2ccc(Oc3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene?
The InChIKey is ATRDCWKIKNXCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O5S.4C2H6/c1-30-22-7-3-20(4-8-22)19-21-5-9-24(10-6-21)32-25-13-17-27(18-14-25)33(28,29)26-15-11-23(31-2)12-16-26;4*1-2/h3-18H,19H2,1-2H3;4*1-2H3.
What are the key properties of ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene?
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene has a molecular weight of 580.83 g/mol, XLogP of 10.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene is sourced from PubChem (CID 91541647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).