2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide

C84H90O16S3 — CID 161242361

IUPAC2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide
SMILESCOc1c(C(O)C(c2ccccc2)c2ccc(C)c(C)c2)ccc2c1C=CC(C)(C)O2.COc1cc(C(C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)S(=O)(=O)c2ccccc2)ccc1C.COc1cc(CS(=O)(=O)c2ccccc2)ccc1C.COc1ccc2c(c1C)C=CC(C)(C)O2.O=S=O
InChIInChI=1S/C28H28O6S.C28H30O3.C15H16O3S.C13H16O2.O2S/c1-18-11-12-19(17-24(18)32-4)27(35(30,31)20-9-7-6-8-10-20)25(29)22-13-14-23-21(26(22)33-5)15-16-28(2,3)34-23;1-18-11-12-21(17-19(18)2)25(20-9-7-6-8-10-20)26(29)23-13-14-24-22(27(23)30-5)15-16-28(3,4)31-24;1-12-8-9-13(10-15(12)18-2)11-19(16,17)14-6-4-3-5-7-14;1-9-10-7-8-13(2,3)15-12(10)6-5-11(9)14-4;1-3-2/h6-17,27H,1-5H3;6-17,25-26,29H,1-5H3;3-10H,11H2,1-2H3;5-8H,1-4H3;
InChIKeyVAEJYBITIYDUMK-UHFFFAOYSA-N
MW1451.83 g/mol
LogP17.45
Rot. Bonds17

About 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide

2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide (PubChem CID 161242361) has the molecular formula C84H90O16S3 and a molecular weight of 1451.83 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide
PubChem CID161242361
Molecular FormulaC84H90O16S3
Molecular Weight1451.83 g/mol
Exact Mass1450.54
IUPAC Name2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide
SMILESCOc1c(C(O)C(c2ccccc2)c2ccc(C)c(C)c2)ccc2c1C=CC(C)(C)O2.COc1cc(C(C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)S(=O)(=O)c2ccccc2)ccc1C.COc1cc(CS(=O)(=O)c2ccccc2)ccc1C.COc1ccc2c(c1C)C=CC(C)(C)O2.O=S=O
InChIInChI=1S/C28H28O6S.C28H30O3.C15H16O3S.C13H16O2.O2S/c1-18-11-12-19(17-24(18)32-4)27(35(30,31)20-9-7-6-8-10-20)25(29)22-13-14-23-21(26(22)33-5)15-16-28(2,3)34-23;1-18-11-12-21(17-19(18)2)25(20-9-7-6-8-10-20)26(29)23-13-14-24-22(27(23)30-5)15-16-28(3,4)31-24;1-12-8-9-13(10-15(12)18-2)11-19(16,17)14-6-4-3-5-7-14;1-9-10-7-8-13(2,3)15-12(10)6-5-11(9)14-4;1-3-2/h6-17,27H,1-5H3;6-17,25-26,29H,1-5H3;3-10H,11H2,1-2H3;5-8H,1-4H3;
InChIKeyVAEJYBITIYDUMK-UHFFFAOYSA-N
XLogP17.45
TPSA213.56 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001451.83
LogP ≤ 517.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide?
The IUPAC name of 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide (CID 161242361) is 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide?
The canonical SMILES for 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide is COc1c(C(O)C(c2ccccc2)c2ccc(C)c(C)c2)ccc2c1C=CC(C)(C)O2.COc1cc(C(C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)S(=O)(=O)c2ccccc2)ccc1C.COc1cc(CS(=O)(=O)c2ccccc2)ccc1C.COc1ccc2c(c1C)C=CC(C)(C)O2.O=S=O.
What is the InChIKey of 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide?
The InChIKey is VAEJYBITIYDUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O6S.C28H30O3.C15H16O3S.C13H16O2.O2S/c1-18-11-12-19(17-24(18)32-4)27(35(30,31)20-9-7-6-8-10-20)25(29)22-13-14-23-21(26(22)33-5)15-16-28(2,3)34-23;1-18-11-12-21(17-19(18)2)25(20-9-7-6-8-10-20)26(29)23-13-14-24-22(27(23)30-5)15-16-28(3,4)31-24;1-12-8-9-13(10-15(12)18-2)11-19(16,17)14-6-4-3-5-7-14;1-9-10-7-8-13(2,3)15-12(10)6-5-11(9)14-4;1-3-2/h6-17,27H,1-5H3;6-17,25-26,29H,1-5H3;3-10H,11H2,1-2H3;5-8H,1-4H3;.
What are the key properties of 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide?
2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide has a molecular weight of 1451.83 g/mol, XLogP of 17.45, 17 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone;4-(benzenesulfonylmethyl)-2-methoxy-1-methylbenzene;2-(3,4-dimethylphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-phenylethanol;6-methoxy-2,2,5-trimethylchromene;sulfur dioxide is sourced from PubChem (CID 161242361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).