4-[[4-[4-[4-[[4-(1-Methylethoxy)phenyl]sulfonyl]phenoxy]butoxy]phenyl]sulfonyl]phenol

HCID 66718436

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Basic information

CAS: 568572-17-8
Standard SMILES: CC(C)Oc1ccc(S(=O)(=O)c2ccc(OCCCCOc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)cc2)cc1
InChIKey: OPQSLUUXOWKRPQ-UHFFFAOYSA-N
Molecular formula: C31H32O8S2
Average molar mass: 596.7 g/mol
Monoisotopic mass: 596.15386032

Names & identifiers

Preferred name: 4-[[4-[4-[4-[[4-(1-Methylethoxy)phenyl]sulfonyl]phenoxy]butoxy]phenyl]sulfonyl]phenol
IUPAC: 4-[4-[4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]butoxy]phenyl]sulfonylphenol

Names & synonyms

SCHEMBL536872OPQSLUUXOWKRPQ-UHFFFAOYSA-NDTXSID701335372NS000774844-[[4-[4-[4-[[4-(1-Methylethoxy)phenyl]sulfonyl]phenoxy]butoxy]phenyl]sulfonyl]phenol4-{4-[4-(4-{4-[(Propan-2-yl)oxy]benzene-1-sulfonyl}phenoxy)butoxy]benzene-1-sulfonyl}phenol568572-17-8

Database identifiers

CAS: 568572-17-8
PubChem CID: 66718436
DTXSID: DTXSID701335372
Nikkaji: J2.715.673H

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 133 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 13
Heavy atoms: 41
Formal charge: 0
Complexity: 955

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