5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol

C18H20O5 — CID 72702681

IUPAC5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol
SMILESCOc1cc(/C=C/c2cc(O)c(CCO)c(O)c2)cc(OC)c1
InChIInChI=1S/C18H20O5/c1-22-14-7-12(8-15(11-14)23-2)3-4-13-9-17(20)16(5-6-19)18(21)10-13/h3-4,7-11,19-21H,5-6H2,1-2H3/b4-3+
InChIKeyASTBSZWPSFQWBN-ONEGZZNKSA-N
MW316.35 g/mol
LogP2.82
Rot. Bonds6

About 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol

5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol (PubChem CID 72702681) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol
PubChem CID72702681
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol
SMILESCOc1cc(/C=C/c2cc(O)c(CCO)c(O)c2)cc(OC)c1
InChIInChI=1S/C18H20O5/c1-22-14-7-12(8-15(11-14)23-2)3-4-13-9-17(20)16(5-6-19)18(21)10-13/h3-4,7-11,19-21H,5-6H2,1-2H3/b4-3+
InChIKeyASTBSZWPSFQWBN-ONEGZZNKSA-N
XLogP2.82
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol (CID 72702681) is 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol is COc1cc(/C=C/c2cc(O)c(CCO)c(O)c2)cc(OC)c1.
What is the InChIKey of 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol?
The InChIKey is ASTBSZWPSFQWBN-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H20O5/c1-22-14-7-12(8-15(11-14)23-2)3-4-13-9-17(20)16(5-6-19)18(21)10-13/h3-4,7-11,19-21H,5-6H2,1-2H3/b4-3+.
What are the key properties of 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol?
5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol has a molecular weight of 316.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(2-hydroxyethyl)benzene-1,3-diol is sourced from PubChem (CID 72702681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).