3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol

C17H18O5 — CID 69301541

IUPAC3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
SMILESCOc1cc(C=Cc2cccc(O)c2O)cc(OC)c1OC
InChIInChI=1S/C17H18O5/c1-20-14-9-11(10-15(21-2)17(14)22-3)7-8-12-5-4-6-13(18)16(12)19/h4-10,18-19H,1-3H3
InChIKeyDVIRKQWFLAZEJW-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.29
Rot. Bonds5

About 3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol

3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol (PubChem CID 69301541) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
PubChem CID69301541
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
SMILESCOc1cc(C=Cc2cccc(O)c2O)cc(OC)c1OC
InChIInChI=1S/C17H18O5/c1-20-14-9-11(10-15(21-2)17(14)22-3)7-8-12-5-4-6-13(18)16(12)19/h4-10,18-19H,1-3H3
InChIKeyDVIRKQWFLAZEJW-UHFFFAOYSA-N
XLogP3.29
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
(E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 135360314
2-methoxy-5-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 142237968
[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 53465498
O-[2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] N,N-dimethylcarbamothioate
CID 71767196
(E)-3-(3-hydroxyphenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359576
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359871
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
tetrasodium;[3-[(Z)-2-(3,4-dimethoxy-5-phosphonatooxyphenyl)ethenyl]-2-hydroxy-6-methoxyphenyl] phosphate
CID 44584311

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol?
The IUPAC name of 3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol (CID 69301541) is 3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol.
What is the SMILES notation for 3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol?
The canonical SMILES for 3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol is COc1cc(C=Cc2cccc(O)c2O)cc(OC)c1OC.
What is the InChIKey of 3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol?
The InChIKey is DVIRKQWFLAZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-14-9-11(10-15(21-2)17(14)22-3)7-8-12-5-4-6-13(18)16(12)19/h4-10,18-19H,1-3H3.
What are the key properties of 3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol?
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol has a molecular weight of 302.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol is sourced from PubChem (CID 69301541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).