[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium

C23H25O2S+ — CID 87489966

IUPAC[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
SMILESCOc1cc(OC(C)(C)C)cc([S+](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H25O2S/c1-23(2,3)25-19-15-18(24-4)16-22(17-19)26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17H,1-4H3/q+1
InChIKeyUTCXTYODWLRQHM-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.97
Rot. Bonds5

About [3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium

[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium (PubChem CID 87489966) has the molecular formula C23H25O2S+ and a molecular weight of 365.52 g/mol. Its IUPAC name is [3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
PubChem CID87489966
Molecular FormulaC23H25O2S+
Molecular Weight365.52 g/mol
Exact Mass365.16
IUPAC Name[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
SMILESCOc1cc(OC(C)(C)C)cc([S+](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H25O2S/c1-23(2,3)25-19-15-18(24-4)16-22(17-19)26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17H,1-4H3/q+1
InChIKeyUTCXTYODWLRQHM-UHFFFAOYSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexafluoroarsenic(1-);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 23133025
bis(4-hydroxyphenyl)-phenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium
CID 159429965
phenyl-bis[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfanium acetate
CID 159841211
(4-methoxycarbonylphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium
CID 171721840
1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
CID 166607829
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
1-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;(2-methylpropan-2-yl)oxybenzene
CID 158805724
1,3-dimethoxy-5-phenylbenzene
CID 11469945
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
CID 174807806
CID 174807806

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium?
The IUPAC name of [3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium (CID 87489966) is [3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for [3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium?
The canonical SMILES for [3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium is COc1cc(OC(C)(C)C)cc([S+](c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium?
The InChIKey is UTCXTYODWLRQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O2S/c1-23(2,3)25-19-15-18(24-4)16-22(17-19)26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17H,1-4H3/q+1.
What are the key properties of [3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium?
[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium has a molecular weight of 365.52 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 87489966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).