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88389-81-5 | Phenol, 4-[[4-[[4-(1-methylethyl)phenyl]methoxy]phenyl]sulfonyl]-
CAS No: 88389-81-5 Catalog No: AG004IIK MDL No:
Product Description
Catalog Number:
AG004IIK
Chemical Name:
Phenol, 4-[[4-[[4-(1-methylethyl)phenyl]methoxy]phenyl]sulfonyl]-
CAS Number:
88389-81-5
Molecular Formula:
C22H22O4S
Molecular Weight:
382.4727
IUPAC Name:
4-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]sulfonylphenol
InChI:
InChI=1S/C22H22O4S/c1-16(2)18-5-3-17(4-6-18)15-26-20-9-13-22(14-10-20)27(24,25)21-11-7-19(23)8-12-21/h3-14,16,23H,15H2,1-2H3
InChI Key:
GOSSVHNMDRLGSK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OCc1ccc(cc1)C(C)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.124g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.474g/mol
Monoisotopic Mass:
382.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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