[bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate

C18H15ClO6S — CID 87483008

IUPAC[bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OS(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H15ClO6S/c20-14-6-10-17(11-7-14)26(25-19(22,23)24,16-4-2-1-3-5-16)18-12-8-15(21)9-13-18/h1-13,20-21H
InChIKeyDJBNXOPERLIQNM-UHFFFAOYSA-N
MW394.83 g/mol
LogP1.21
Rot. Bonds5

About [bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate

[bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate (PubChem CID 87483008) has the molecular formula C18H15ClO6S and a molecular weight of 394.83 g/mol. Its IUPAC name is [bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate.

Molecular Properties

Compound Name[bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate
PubChem CID87483008
Molecular FormulaC18H15ClO6S
Molecular Weight394.83 g/mol
Exact Mass394.03
IUPAC Name[bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OS(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H15ClO6S/c20-14-6-10-17(11-7-14)26(25-19(22,23)24,16-4-2-1-3-5-16)18-12-8-15(21)9-13-18/h1-13,20-21H
InChIKeyDJBNXOPERLIQNM-UHFFFAOYSA-N
XLogP1.21
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate?
The IUPAC name of [bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate (CID 87483008) is [bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate.
What is the SMILES notation for [bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate?
The canonical SMILES for [bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate is [O-][Cl+3]([O-])([O-])OS(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of [bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate?
The InChIKey is DJBNXOPERLIQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO6S/c20-14-6-10-17(11-7-14)26(25-19(22,23)24,16-4-2-1-3-5-16)18-12-8-15(21)9-13-18/h1-13,20-21H.
What are the key properties of [bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate?
[bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate has a molecular weight of 394.83 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(4-hydroxyphenyl)-phenyl-λ4-sulfanyl] perchlorate is sourced from PubChem (CID 87483008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).