2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol

C25H25ClO7S — CID 162018872

IUPAC2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(CS(=O)(=O)c2cccc(Cl)c2)c1O
InChIInChI=1S/C25H25ClO7S/c1-30-21-11-10-17(9-8-16-12-22(31-2)25(33-4)23(13-16)32-3)20(24(21)27)15-34(28,29)19-7-5-6-18(26)14-19/h5-14,27H,15H2,1-4H3/b9-8-
InChIKeyCPOSZPDFPZMDGE-HJWRWDBZSA-N
MW504.99 g/mol
LogP5.22
Rot. Bonds9

About 2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol

2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (PubChem CID 162018872) has the molecular formula C25H25ClO7S and a molecular weight of 504.99 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
PubChem CID162018872
Molecular FormulaC25H25ClO7S
Molecular Weight504.99 g/mol
Exact Mass504.10
IUPAC Name2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(CS(=O)(=O)c2cccc(Cl)c2)c1O
InChIInChI=1S/C25H25ClO7S/c1-30-21-11-10-17(9-8-16-12-22(31-2)25(33-4)23(13-16)32-3)20(24(21)27)15-34(28,29)19-7-5-6-18(26)14-19/h5-14,27H,15H2,1-4H3/b9-8-
InChIKeyCPOSZPDFPZMDGE-HJWRWDBZSA-N
XLogP5.22
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.99
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159050688
3-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159347898
3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314860
4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 157346582
5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 158675985
4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159528223
1,2-dimethoxy-3-[(4-nitrophenyl)sulfonylmethyl]-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 158056126
3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314897
5-[(Z)-2-[2-[(3-chlorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(3,4-dichlorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(3,4-dimethoxyphenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(4-fluorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 159894333
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314914
5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 162078160

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (CID 162018872) is 2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(CS(=O)(=O)c2cccc(Cl)c2)c1O.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The InChIKey is CPOSZPDFPZMDGE-HJWRWDBZSA-N. The full InChI is InChI=1S/C25H25ClO7S/c1-30-21-11-10-17(9-8-16-12-22(31-2)25(33-4)23(13-16)32-3)20(24(21)27)15-34(28,29)19-7-5-6-18(26)14-19/h5-14,27H,15H2,1-4H3/b9-8-.
What are the key properties of 2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol has a molecular weight of 504.99 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 162018872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).