4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol

C117H112O33S8 — CID 158424359

About 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol

4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol (PubChem CID 158424359) has the molecular formula C117H112O33S8 and a molecular weight of 2302.69 g/mol. Its IUPAC name is 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol.

Molecular Properties

• Compound Name: 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol
• PubChem CID: 158424359
• Molecular Formula: C117H112O33S8
• Molecular Weight: 2302.69 g/mol
• Exact Mass: 2300.49
• IUPAC Name: 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol
• SMILES: C=CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.CC(C)(C)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.COCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.Cc1cc(S(=O)(=O)c2cc(C)c(O)c(C)c2)cc(C)c1O.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1.O=S(=O)(c1ccc(O)cc1)c1ccccc1O
• InChI: InChI=1S/C19H16O4S.2C16H18O4S.C15H14O4S.C14H14O5S.C13H12O4S.2C12H10O4S/c20-16-6-10-18(11-7-16)24(21,22)19-12-8-17(9-13-19)23-14-15-4-2-1-3-5-15;1-9-5-13(6-10(2)15(9)17)21(19,20)14-7-11(3)16(18)12(4)8-14;1-16(2,3)20-13-6-10-15(11-7-13)21(18,19)14-8-4-12(17)5-9-14;1-2-11-19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14;1-18-10-19-12-4-8-14(9-5-12)20(16,17)13-6-2-11(15)3-7-13;1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-13,20H,14H2;5-8,17-18H,1-4H3;4-11,17H,1-3H3;2-10,16H,1,11H2;2-9,15H,10H2,1H3;2-9,14H,1H3;2*1-8,13-14H
• InChIKey: HAWGFDDTLLQZKH-UHFFFAOYSA-N
• XLogP: 21.46
• TPSA: 551.03 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2302.69
LogP ≤ 5	21.46
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol?

The IUPAC name of 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol (CID 158424359) is 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol.

What is the SMILES notation for 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol?

The canonical SMILES for 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol is C=CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.CC(C)(C)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.COCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.Cc1cc(S(=O)(=O)c2cc(C)c(O)c(C)c2)cc(C)c1O.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1.O=S(=O)(c1ccc(O)cc1)c1ccccc1O.

What is the InChIKey of 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol?

The InChIKey is HAWGFDDTLLQZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S.2C16H18O4S.C15H14O4S.C14H14O5S.C13H12O4S.2C12H10O4S/c20-16-6-10-18(11-7-16)24(21,22)19-12-8-17(9-13-19)23-14-15-4-2-1-3-5-15;1-9-5-13(6-10(2)15(9)17)21(19,20)14-7-11(3)16(18)12(4)8-14;1-16(2,3)20-13-6-10-15(11-7-13)21(18,19)14-8-4-12(17)5-9-14;1-2-11-19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14;1-18-10-19-12-4-8-14(9-5-12)20(16,17)13-6-2-11(15)3-7-13;1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-13,20H,14H2;5-8,17-18H,1-4H3;4-11,17H,1-3H3;2-10,16H,1,11H2;2-9,15H,10H2,1H3;2-9,14H,1H3;2*1-8,13-14H.

What are the key properties of 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol?

4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol has a molecular weight of 2302.69 g/mol, XLogP of 21.46, 27 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol is sourced from PubChem (CID 158424359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).