1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene

C20H26O2S — CID 126746102

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene
SMILESCC(C)(C)Oc1ccc(Sc2ccc(OC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26O2S/c1-19(2,3)21-15-7-11-17(12-8-15)23-18-13-9-16(10-14-18)22-20(4,5)6/h7-14H,1-6H3
InChIKeyWSDPZGTURAOANB-UHFFFAOYSA-N
MW330.49 g/mol
LogP6.19
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene

1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene (PubChem CID 126746102) has the molecular formula C20H26O2S and a molecular weight of 330.49 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene
PubChem CID126746102
Molecular FormulaC20H26O2S
Molecular Weight330.49 g/mol
Exact Mass330.17
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene
SMILESCC(C)(C)Oc1ccc(Sc2ccc(OC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26O2S/c1-19(2,3)21-15-7-11-17(12-8-15)23-18-13-9-16(10-14-18)22-20(4,5)6/h7-14H,1-6H3
InChIKeyWSDPZGTURAOANB-UHFFFAOYSA-N
XLogP6.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.49
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-4-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene
CID 101200720
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzenethiol
CID 101200718
1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene
CID 129089574
4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine
CID 14255222
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane
CID 71403071
bis(4-[(2-methylpropan-2-yl)oxy]phenol);zirconium
CID 158294548
tetrakis[4-[(2-methylpropan-2-yl)oxy]phenyl]boranuide
CID 140853647
2-[[ethyl(methyl)amino]methyl]-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylphenoxy]phenol
CID 129274757
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride
CID 67297823
1,1,2,2-tetrakis[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diol
CID 58750857

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene (CID 126746102) is 1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene is CC(C)(C)Oc1ccc(Sc2ccc(OC(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene?
The InChIKey is WSDPZGTURAOANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2S/c1-19(2,3)21-15-7-11-17(12-8-15)23-18-13-9-16(10-14-18)22-20(4,5)6/h7-14H,1-6H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene?
1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene has a molecular weight of 330.49 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene is sourced from PubChem (CID 126746102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).