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

C23H25O2S+ — CID 59584286

IUPACdiphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium
SMILESCC(C)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25O2S/c1-19(2)24-17-18-25-20-13-15-23(16-14-20)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3/q+1
InChIKeyJDJSGAMPXNJDAM-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.59
Rot. Bonds8

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

diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium (PubChem CID 59584286) has the molecular formula C23H25O2S+ and a molecular weight of 365.52 g/mol. Its IUPAC name is diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium
PubChem CID59584286
Molecular FormulaC23H25O2S+
Molecular Weight365.52 g/mol
Exact Mass365.16
IUPAC Namediphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium
SMILESCC(C)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25O2S/c1-19(2)24-17-18-25-20-13-15-23(16-14-20)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3/q+1
InChIKeyJDJSGAMPXNJDAM-UHFFFAOYSA-N
XLogP5.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[4-(propan-2-yloxymethoxy)phenyl]sulfanium
CID 59584325
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium
CID 59319783
[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium
CID 156683914
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
[4-(1,1-difluoro-1-sulfopropan-2-yl)oxyphenyl]-[4-(2-methoxyethoxy)phenyl]-phenylsulfanium
CID 157187829
[4-[2-[2-(2-bromopropanoyloxy)ethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 156684081
[4-(2,2-dimethylpropoxy)phenyl]-diphenylsulfanium
CID 160615561
bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate
CID 141214793
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784
1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene
CID 90249026

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium?
The IUPAC name of diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium (CID 59584286) is diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium.
What is the SMILES notation for diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium?
The canonical SMILES for diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium is CC(C)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium?
The InChIKey is JDJSGAMPXNJDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O2S/c1-19(2)24-17-18-25-20-13-15-23(16-14-20)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3/q+1.
What are the key properties of diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium?
diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium has a molecular weight of 365.52 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium is sourced from PubChem (CID 59584286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).