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

C26H27ClO8S — CID 157346582

IUPAC4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCOc1cc(CS(=O)(=O)c2ccc(OC)c(Cl)c2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C26H27ClO8S/c1-31-22-9-8-19(14-20(22)27)36(29,30)15-18-13-23(32-2)21(28)12-17(18)7-6-16-10-24(33-3)26(35-5)25(11-16)34-4/h6-14,28H,15H2,1-5H3/b7-6-
InChIKeyMFASXEZZCDKMAP-SREVYHEPSA-N
MW535.01 g/mol
LogP5.23
Rot. Bonds10

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

4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (PubChem CID 157346582) has the molecular formula C26H27ClO8S and a molecular weight of 535.01 g/mol. Its IUPAC name is 4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
PubChem CID157346582
Molecular FormulaC26H27ClO8S
Molecular Weight535.01 g/mol
Exact Mass534.11
IUPAC Name4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCOc1cc(CS(=O)(=O)c2ccc(OC)c(Cl)c2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C26H27ClO8S/c1-31-22-9-8-19(14-20(22)27)36(29,30)15-18-13-23(32-2)21(28)12-17(18)7-6-16-10-24(33-3)26(35-5)25(11-16)34-4/h6-14,28H,15H2,1-5H3/b7-6-
InChIKeyMFASXEZZCDKMAP-SREVYHEPSA-N
XLogP5.23
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.01
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159313001
3-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159347898
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
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)-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
1,2,3-trimethoxy-5-[(Z)-2-[2-[(4-nitrophenyl)sulfonylmethyl]phenyl]ethenyl]benzene
CID 158675988
(Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one
CID 158934432

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The IUPAC name of 4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (CID 157346582) is 4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The canonical SMILES for 4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is COc1cc(CS(=O)(=O)c2ccc(OC)c(Cl)c2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The InChIKey is MFASXEZZCDKMAP-SREVYHEPSA-N. The full InChI is InChI=1S/C26H27ClO8S/c1-31-22-9-8-19(14-20(22)27)36(29,30)15-18-13-23(32-2)21(28)12-17(18)7-6-16-10-24(33-3)26(35-5)25(11-16)34-4/h6-14,28H,15H2,1-5H3/b7-6-.
What are the key properties of 4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol has a molecular weight of 535.01 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 157346582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).