3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol

C22H20O5 — CID 91046809

IUPAC3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol
SMILESCOc1cc(O)c(Cc2ccc(O)cc2)c(C=Cc2cccc(O)c2)c1O
InChIInChI=1S/C22H20O5/c1-27-21-13-20(25)19(12-15-5-8-16(23)9-6-15)18(22(21)26)10-7-14-3-2-4-17(24)11-14/h2-11,13,23-26H,12H2,1H3
InChIKeyZYWMGAAALDEQCJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.28
Rot. Bonds5

About 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol

3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol (PubChem CID 91046809) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol
PubChem CID91046809
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol
SMILESCOc1cc(O)c(Cc2ccc(O)cc2)c(C=Cc2cccc(O)c2)c1O
InChIInChI=1S/C22H20O5/c1-27-21-13-20(25)19(12-15-5-8-16(23)9-6-15)18(22(21)26)10-7-14-3-2-4-17(24)11-14/h2-11,13,23-26H,12H2,1H3
InChIKeyZYWMGAAALDEQCJ-UHFFFAOYSA-N
XLogP4.28
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol
CID 155072350
2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol
CID 73316036
3-[2-(3-hydroxyphenyl)ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol
CID 102316584
3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol
CID 173498744
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 44577476
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene
CID 175647423
4-[2-(3-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 54100227
2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
CID 129291858

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol?
The IUPAC name of 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol (CID 91046809) is 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol is COc1cc(O)c(Cc2ccc(O)cc2)c(C=Cc2cccc(O)c2)c1O.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol?
The InChIKey is ZYWMGAAALDEQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-27-21-13-20(25)19(12-15-5-8-16(23)9-6-15)18(22(21)26)10-7-14-3-2-4-17(24)11-14/h2-11,13,23-26H,12H2,1H3.
What are the key properties of 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol?
3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol has a molecular weight of 364.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol is sourced from PubChem (CID 91046809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).