4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol

C18H20O6 — CID 71361751

IUPAC4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
SMILESCOc1cc(C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=1S/C18H20O6/c1-21-13-7-11(8-14(22-2)17(13)19)5-6-12-9-15(23-3)18(20)16(10-12)24-4/h5-10,19-20H,1-4H3
InChIKeyYFBUMMLGULXCIY-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.30
Rot. Bonds6

About 4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol

4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol (PubChem CID 71361751) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
PubChem CID71361751
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
SMILESCOc1cc(C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=1S/C18H20O6/c1-21-13-7-11(8-14(22-2)17(13)19)5-6-12-9-15(23-3)18(20)16(10-12)24-4/h5-10,19-20H,1-4H3
InChIKeyYFBUMMLGULXCIY-UHFFFAOYSA-N
XLogP3.30
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
CID 101267278
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 57041223
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
sodium (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 139662068
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
CID 13436193
1-(4-hydroxy-3,5-dimethoxyphenyl)penta-1,4-dien-3-one
CID 68601857
acetyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 87453578
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
(1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 73438577
sulfo 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 162822304

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol (CID 71361751) is 4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol is COc1cc(C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O.
What is the InChIKey of 4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol?
The InChIKey is YFBUMMLGULXCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-21-13-7-11(8-14(22-2)17(13)19)5-6-12-9-15(23-3)18(20)16(10-12)24-4/h5-10,19-20H,1-4H3.
What are the key properties of 4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol?
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol has a molecular weight of 332.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 71361751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).