[4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol

C34H30O6S — CID 90323974

IUPAC[4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol
SMILESCOc1ccc(-c2cc(CO)c(-c3ccc(Oc4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)cc3)cc2OC)cc1
InChIInChI=1S/C34H30O6S/c1-23-4-16-30(17-5-23)41(36,37)31-18-14-29(15-19-31)40-28-12-8-24(9-13-28)32-21-34(39-3)33(20-26(32)22-35)25-6-10-27(38-2)11-7-25/h4-21,35H,22H2,1-3H3
InChIKeyVKKHERUEZHHBRI-UHFFFAOYSA-N
MW566.68 g/mol
LogP7.46
Rot. Bonds9

About [4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol

[4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol (PubChem CID 90323974) has the molecular formula C34H30O6S and a molecular weight of 566.68 g/mol. Its IUPAC name is [4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol
PubChem CID90323974
Molecular FormulaC34H30O6S
Molecular Weight566.68 g/mol
Exact Mass566.18
IUPAC Name[4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol
SMILESCOc1ccc(-c2cc(CO)c(-c3ccc(Oc4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)cc3)cc2OC)cc1
InChIInChI=1S/C34H30O6S/c1-23-4-16-30(17-5-23)41(36,37)31-18-14-29(15-19-31)40-28-12-8-24(9-13-28)32-21-34(39-3)33(20-26(32)22-35)25-6-10-27(38-2)11-7-25/h4-21,35H,22H2,1-3H3
InChIKeyVKKHERUEZHHBRI-UHFFFAOYSA-N
XLogP7.46
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.68
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
CID 90128560
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
(4-methoxyphenyl)-methylidene-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-oxo-λ6-sulfane
CID 144623140
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158339825
2-methoxy-5-[4-(4-methylphenyl)sulfonylphenoxy]benzoic acid
CID 130396430
5-(4-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylphenoxy]benzenesulfonic acid
CID 135215271
2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline
CID 88530720
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenyl]phenyl]sulfonyl-4-methylbenzene
CID 158493330

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol?
The IUPAC name of [4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol (CID 90323974) is [4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol.
What is the SMILES notation for [4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol?
The canonical SMILES for [4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol is COc1ccc(-c2cc(CO)c(-c3ccc(Oc4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)cc3)cc2OC)cc1.
What is the InChIKey of [4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol?
The InChIKey is VKKHERUEZHHBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O6S/c1-23-4-16-30(17-5-23)41(36,37)31-18-14-29(15-19-31)40-28-12-8-24(9-13-28)32-21-34(39-3)33(20-26(32)22-35)25-6-10-27(38-2)11-7-25/h4-21,35H,22H2,1-3H3.
What are the key properties of [4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol?
[4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol has a molecular weight of 566.68 g/mol, XLogP of 7.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol is sourced from PubChem (CID 90323974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).