[2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium

C24H25O4S+ — CID 87491705

IUPAC[2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
SMILESCC(C)(C)OC(=O)COc1cccc(O)c1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O4S/c1-24(2,3)28-22(26)17-27-21-16-10-15-20(25)23(21)29(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16H,17H2,1-3H3/p+1
InChIKeyCCCBHAQBLZETNS-UHFFFAOYSA-O
MW409.53 g/mol
LogP5.21
Rot. Bonds6

About [2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium

[2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium (PubChem CID 87491705) has the molecular formula C24H25O4S+ and a molecular weight of 409.53 g/mol. Its IUPAC name is [2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
PubChem CID87491705
Molecular FormulaC24H25O4S+
Molecular Weight409.53 g/mol
Exact Mass409.15
IUPAC Name[2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
SMILESCC(C)(C)OC(=O)COc1cccc(O)c1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O4S/c1-24(2,3)28-22(26)17-27-21-16-10-15-20(25)23(21)29(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16H,17H2,1-3H3/p+1
InChIKeyCCCBHAQBLZETNS-UHFFFAOYSA-O
XLogP5.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

diphenyl-[2,4,6-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22057125
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;trifluoromethanesulfonate
CID 57357637
tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate
CID 142585494
tert-butyl 2-(3-chloro-2-iodophenoxy)acetate
CID 16741488
tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate
CID 70673218
tert-butyl 2-[1-(benzenesulfonyl)indol-4-yl]oxyacetate
CID 142413165
tert-butyl 2-(2,3-diformylphenoxy)acetate
CID 178004978
(3-methoxyphenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22901762
tert-butyl 2-(2,3-dinitrophenoxy)acetate
CID 87079023
[3-(dimethylamino)phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22290230
tert-butyl 2-(2-amino-3-nitrophenoxy)acetate
CID 86067567

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium?
The IUPAC name of [2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium (CID 87491705) is [2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for [2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium?
The canonical SMILES for [2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium is CC(C)(C)OC(=O)COc1cccc(O)c1[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of [2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium?
The InChIKey is CCCBHAQBLZETNS-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24O4S/c1-24(2,3)28-22(26)17-27-21-16-10-15-20(25)23(21)29(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16H,17H2,1-3H3/p+1.
What are the key properties of [2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium?
[2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium has a molecular weight of 409.53 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 87491705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).