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

C19H22O6 — CID 89269608

IUPAC3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol
SMILESCOc1ccc(/C=C\c2cc(CO)c(OC)c(OC)c2)c(OC)c1O
InChIInChI=1S/C19H22O6/c1-22-15-8-7-13(19(25-4)17(15)21)6-5-12-9-14(11-20)18(24-3)16(10-12)23-2/h5-10,20-21H,11H2,1-4H3/b6-5-
InChIKeyKDVYVCIYRSRYMR-WAYWQWQTSA-N
MW346.38 g/mol
LogP3.09
Rot. Bonds7

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

3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol (PubChem CID 89269608) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol
PubChem CID89269608
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol
SMILESCOc1ccc(/C=C\c2cc(CO)c(OC)c(OC)c2)c(OC)c1O
InChIInChI=1S/C19H22O6/c1-22-15-8-7-13(19(25-4)17(15)21)6-5-12-9-14(11-20)18(24-3)16(10-12)23-2/h5-10,20-21H,11H2,1-4H3/b6-5-
InChIKeyKDVYVCIYRSRYMR-WAYWQWQTSA-N
XLogP3.09
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.09
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-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol
CID 123931349
disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 53465723
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
(5-ethenyl-2,3-dimethoxyphenyl)methanol
CID 170419069
[3-[2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-hydroxy-6-methoxyphenyl] dihydrogen phosphate
CID 123363099
[5-[(Z)-2-(2,3-diamino-4-methoxyphenyl)ethenyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 118421895
6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159050688
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 53465498
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
CID 22349249
2-[2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-5-methoxybenzene-1,4-diol
CID 123744065
[5-[2-(2-amino-4-methoxyphenyl)ethenyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 123340958

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol?
The IUPAC name of 3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol (CID 89269608) is 3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol?
The canonical SMILES for 3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol is COc1ccc(/C=C\c2cc(CO)c(OC)c(OC)c2)c(OC)c1O.
What is the InChIKey of 3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol?
The InChIKey is KDVYVCIYRSRYMR-WAYWQWQTSA-N. The full InChI is InChI=1S/C19H22O6/c1-22-15-8-7-13(19(25-4)17(15)21)6-5-12-9-14(11-20)18(24-3)16(10-12)23-2/h5-10,20-21H,11H2,1-4H3/b6-5-.
What are the key properties of 3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol?
3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol has a molecular weight of 346.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 89269608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).