[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol

C26H22O6S — CID 90128560

IUPAC[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(CO)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H22O6S/c1-30-20-6-8-22(9-7-20)32-24-12-16-26(17-13-24)33(28,29)25-14-10-23(11-15-25)31-21-4-2-19(18-27)3-5-21/h2-17,27H,18H2,1H3
InChIKeyRFDXAMHWRXHGIZ-UHFFFAOYSA-N
MW462.52 g/mol
LogP5.60
Rot. Bonds8

About [4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol

[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol (PubChem CID 90128560) has the molecular formula C26H22O6S and a molecular weight of 462.52 g/mol. Its IUPAC name is [4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
PubChem CID90128560
Molecular FormulaC26H22O6S
Molecular Weight462.52 g/mol
Exact Mass462.11
IUPAC Name[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(CO)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H22O6S/c1-30-20-6-8-22(9-7-20)32-24-12-16-26(17-13-24)33(28,29)25-14-10-23(11-15-25)31-21-4-2-19(18-27)3-5-21/h2-17,27H,18H2,1H3
InChIKeyRFDXAMHWRXHGIZ-UHFFFAOYSA-N
XLogP5.60
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
CID 91541647
[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol
CID 572397
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
(4-methoxyphenyl)methanol
CID 7738
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]phenyl]sulfonyl-1,2-dimethylbenzene
CID 58427648
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
(4-methoxyphenyl)methanol;nitric acid
CID 71402449
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
[4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol
CID 90323974
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol?
The IUPAC name of [4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol (CID 90128560) is [4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol.
What is the SMILES notation for [4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol?
The canonical SMILES for [4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol is COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(CO)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol?
The InChIKey is RFDXAMHWRXHGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6S/c1-30-20-6-8-22(9-7-20)32-24-12-16-26(17-13-24)33(28,29)25-14-10-23(11-15-25)31-21-4-2-19(18-27)3-5-21/h2-17,27H,18H2,1H3.
What are the key properties of [4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol?
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol has a molecular weight of 462.52 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol is sourced from PubChem (CID 90128560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).