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

C25H25ClO7S — CID 159528223

IUPAC4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCOc1cc(CS(=O)(=O)c2ccc(Cl)cc2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C25H25ClO7S/c1-30-22-14-18(15-34(28,29)20-9-7-19(26)8-10-20)17(13-21(22)27)6-5-16-11-23(31-2)25(33-4)24(12-16)32-3/h5-14,27H,15H2,1-4H3/b6-5-
InChIKeyGFKIQLZKGWHHMY-WAYWQWQTSA-N
MW504.99 g/mol
LogP5.22
Rot. Bonds9

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

4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (PubChem CID 159528223) has the molecular formula C25H25ClO7S and a molecular weight of 504.99 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
PubChem CID159528223
Molecular FormulaC25H25ClO7S
Molecular Weight504.99 g/mol
Exact Mass504.10
IUPAC Name4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCOc1cc(CS(=O)(=O)c2ccc(Cl)cc2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C25H25ClO7S/c1-30-22-14-18(15-34(28,29)20-9-7-19(26)8-10-20)17(13-21(22)27)6-5-16-11-23(31-2)25(33-4)24(12-16)32-3/h5-14,27H,15H2,1-4H3/b6-5-
InChIKeyGFKIQLZKGWHHMY-WAYWQWQTSA-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

4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 157346582
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159313001
5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 158675985
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-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159347898
4-[[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylsulfonyl]aniline
CID 162078157
1,2,3-trimethoxy-5-[(Z)-2-[2-[(4-nitrophenyl)sulfonylmethyl]phenyl]ethenyl]benzene
CID 158675988
5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 162078160
2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 162018872
6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159050688
(Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one
CID 158934432
(Z)-1-(3-hydroxy-4-methoxyphenyl)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one
CID 159572554

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (CID 159528223) is 4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is COc1cc(CS(=O)(=O)c2ccc(Cl)cc2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The InChIKey is GFKIQLZKGWHHMY-WAYWQWQTSA-N. The full InChI is InChI=1S/C25H25ClO7S/c1-30-22-14-18(15-34(28,29)20-9-7-19(26)8-10-20)17(13-21(22)27)6-5-16-11-23(31-2)25(33-4)24(12-16)32-3/h5-14,27H,15H2,1-4H3/b6-5-.
What are the key properties of 4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(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 4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 159528223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).