diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium

C22H23O2S+ — CID 59584325

IUPACdiphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium
SMILESCC(C)OCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23O2S/c1-18(2)23-17-24-19-13-15-22(16-14-19)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,17H2,1-2H3/q+1
InChIKeyQGCTYTNPVCCETD-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.54
Rot. Bonds7

About diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium

diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium (PubChem CID 59584325) has the molecular formula C22H23O2S+ and a molecular weight of 351.49 g/mol. Its IUPAC name is diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium
PubChem CID59584325
Molecular FormulaC22H23O2S+
Molecular Weight351.49 g/mol
Exact Mass351.14
IUPAC Namediphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium
SMILESCC(C)OCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23O2S/c1-18(2)23-17-24-19-13-15-22(16-14-19)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,17H2,1-2H3/q+1
InChIKeyQGCTYTNPVCCETD-UHFFFAOYSA-N
XLogP5.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium
CID 59584286
[4-(2,2-dimethylpropoxy)phenyl]-diphenylsulfanium
CID 160615561
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784
tris[4-(1-phenoxyethoxy)phenyl]sulfanium
CID 139829592
bis[4-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phenyl]-phenylsulfanium
CID 59503276
1,4-bis(butan-2-yloxymethoxy)benzene;phenol
CID 161493594
[4-[(2-methyl-2-adamantyl)methoxymethoxy]phenyl]-diphenylsulfanium
CID 159906477
[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium
CID 156683914
[4-[2-[2-(2-bromopropanoyloxy)ethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 156684081
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
bis(4-octadecoxyphenyl)-phenylsulfanium hexafluorophosphate
CID 22342239
ethane;2-methylbutane;triphenylsulfanium
CID 165080585

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium?
The IUPAC name of diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium (CID 59584325) is diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium.
What is the SMILES notation for diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium?
The canonical SMILES for diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium is CC(C)OCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium?
The InChIKey is QGCTYTNPVCCETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O2S/c1-18(2)23-17-24-19-13-15-22(16-14-19)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,17H2,1-2H3/q+1.
What are the key properties of diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium?
diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium has a molecular weight of 351.49 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium is sourced from PubChem (CID 59584325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).