4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol

C26H26O6 — CID 141083399

IUPAC4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol
SMILESC=C(c1ccc(C(=C)c2ccc(O)c(OC)c2OC)cc1)c1ccc(O)c(OC)c1OC
InChIInChI=1S/C26H26O6/c1-15(19-11-13-21(27)25(31-5)23(19)29-3)17-7-9-18(10-8-17)16(2)20-12-14-22(28)26(32-6)24(20)30-4/h7-14,27-28H,1-2H2,3-6H3
InChIKeyMLTAFPSSGCSGJX-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.26
Rot. Bonds8

About 4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol

4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol (PubChem CID 141083399) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol.

Molecular Properties

Compound Name4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol
PubChem CID141083399
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol
SMILESC=C(c1ccc(C(=C)c2ccc(O)c(OC)c2OC)cc1)c1ccc(O)c(OC)c1OC
InChIInChI=1S/C26H26O6/c1-15(19-11-13-21(27)25(31-5)23(19)29-3)17-7-9-18(10-8-17)16(2)20-12-14-22(28)26(32-6)24(20)30-4/h7-14,27-28H,1-2H2,3-6H3
InChIKeyMLTAFPSSGCSGJX-UHFFFAOYSA-N
XLogP5.26
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-(1-phenylethenyl)phenol
CID 11064138
4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 89122708
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 145336947
2,3-dimethoxy-4-methylphenol;propane
CID 143012581
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117304898
1,5-dimethoxy-2,4-bis[1-(4-phenylphenyl)ethenyl]benzene
CID 132542324
1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one
CID 91750719
1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
CID 147717249
4-chloro-2-methoxy-3-methylphenol
CID 124706065
3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol?
The IUPAC name of 4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol (CID 141083399) is 4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol.
What is the SMILES notation for 4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol?
The canonical SMILES for 4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol is C=C(c1ccc(C(=C)c2ccc(O)c(OC)c2OC)cc1)c1ccc(O)c(OC)c1OC.
What is the InChIKey of 4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol?
The InChIKey is MLTAFPSSGCSGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c1-15(19-11-13-21(27)25(31-5)23(19)29-3)17-7-9-18(10-8-17)16(2)20-12-14-22(28)26(32-6)24(20)30-4/h7-14,27-28H,1-2H2,3-6H3.
What are the key properties of 4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol?
4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol has a molecular weight of 434.49 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[1-(4-hydroxy-2,3-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,3-dimethoxyphenol is sourced from PubChem (CID 141083399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).