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

C28H32O10S — CID 159313001

IUPAC2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
SMILESCOc1cc(CS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C28H32O10S/c1-32-22-13-19(16-39(30,31)20-14-25(35-4)28(38-7)26(15-20)36-5)18(12-21(22)29)9-8-17-10-23(33-2)27(37-6)24(11-17)34-3/h8-15,29H,16H2,1-7H3/b9-8-
InChIKeyFONPDAKIXCZUGZ-HJWRWDBZSA-N
MW560.62 g/mol
LogP4.60
Rot. Bonds12

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

2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol (PubChem CID 159313001) has the molecular formula C28H32O10S and a molecular weight of 560.62 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
PubChem CID159313001
Molecular FormulaC28H32O10S
Molecular Weight560.62 g/mol
Exact Mass560.17
IUPAC Name2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
SMILESCOc1cc(CS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C28H32O10S/c1-32-22-13-19(16-39(30,31)20-14-25(35-4)28(38-7)26(15-20)36-5)18(12-21(22)29)9-8-17-10-23(33-2)27(37-6)24(11-17)34-3/h8-15,29H,16H2,1-7H3/b9-8-
InChIKeyFONPDAKIXCZUGZ-HJWRWDBZSA-N
XLogP4.60
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.62
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159528223
4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 157346582
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
2-methoxy-5-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 142237968
(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
4-[[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylsulfonyl]aniline
CID 162078157
5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 158675985
1,2,3-trimethoxy-5-[(Z)-2-[2-[(4-nitrophenyl)sulfonylmethyl]phenyl]ethenyl]benzene
CID 158675988
3-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159347898
5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 162078160
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol?
The IUPAC name of 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol (CID 159313001) is 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol?
The canonical SMILES for 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol is COc1cc(CS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol?
The InChIKey is FONPDAKIXCZUGZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C28H32O10S/c1-32-22-13-19(16-39(30,31)20-14-25(35-4)28(38-7)26(15-20)36-5)18(12-21(22)29)9-8-17-10-23(33-2)27(37-6)24(11-17)34-3/h8-15,29H,16H2,1-7H3/b9-8-.
What are the key properties of 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol?
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol has a molecular weight of 560.62 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol is sourced from PubChem (CID 159313001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).