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

C28H32O10S — CID 159050688

IUPAC6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(CS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)c1O
InChIInChI=1S/C28H32O10S/c1-32-21-11-10-18(9-8-17-12-22(33-2)27(37-6)23(13-17)34-3)20(26(21)29)16-39(30,31)19-14-24(35-4)28(38-7)25(15-19)36-5/h8-15,29H,16H2,1-7H3/b9-8-
InChIKeyBZBGZYJCGIVOKB-HJWRWDBZSA-N
MW560.62 g/mol
LogP4.60
Rot. Bonds12

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

6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol (PubChem CID 159050688) has the molecular formula C28H32O10S and a molecular weight of 560.62 g/mol. Its IUPAC name is 6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol.

Molecular Properties

Compound Name6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
PubChem CID159050688
Molecular FormulaC28H32O10S
Molecular Weight560.62 g/mol
Exact Mass560.17
IUPAC Name6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(CS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)c1O
InChIInChI=1S/C28H32O10S/c1-32-21-11-10-18(9-8-17-12-22(33-2)27(37-6)23(13-17)34-3)20(26(21)29)16-39(30,31)19-14-24(35-4)28(38-7)25(15-19)36-5/h8-15,29H,16H2,1-7H3/b9-8-
InChIKeyBZBGZYJCGIVOKB-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

2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 162018872
3-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159347898
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159313001
1,2-dimethoxy-3-[(4-nitrophenyl)sulfonylmethyl]-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 158056126
disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 53465723
(Z)-1-(3-amino-4-methoxyphenyl)-4-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one
CID 160585514
4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 157346582
3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol
CID 89269608
4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159528223
3-[(3-tert-butylphenyl)sulfonylmethyl]-2-fluoro-1-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene;2-fluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]-1-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene;2-fluoro-1-methoxy-3-[(4-methoxy-3-nitrophenyl)sulfonylmethyl]-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene;5-[[2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylsulfonyl]-2-methoxyphenol;2-fluoro-1-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]benzene
CID 158115262
[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 53465498
(E)-1-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]pent-3-en-2-one
CID 161061474

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol?
The IUPAC name of 6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol (CID 159050688) is 6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol.
What is the SMILES notation for 6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol?
The canonical SMILES for 6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(CS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)c1O.
What is the InChIKey of 6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol?
The InChIKey is BZBGZYJCGIVOKB-HJWRWDBZSA-N. The full InChI is InChI=1S/C28H32O10S/c1-32-21-11-10-18(9-8-17-12-22(33-2)27(37-6)23(13-17)34-3)20(26(21)29)16-39(30,31)19-14-24(35-4)28(38-7)25(15-19)36-5/h8-15,29H,16H2,1-7H3/b9-8-.
What are the key properties of 6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol?
6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(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 6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol is sourced from PubChem (CID 159050688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).