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

C16H16O3 — CID 57478509

IUPAC5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
SMILESCCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C16H16O3/c1-2-19-16-7-5-12(6-8-16)3-4-13-9-14(17)11-15(18)10-13/h3-11,17-18H,2H2,1H3/b4-3+
InChIKeyAKUPYSVGWDFPJV-ONEGZZNKSA-N
MW256.30 g/mol
LogP3.67
Rot. Bonds4

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

5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol (PubChem CID 57478509) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
PubChem CID57478509
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
SMILESCCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C16H16O3/c1-2-19-16-7-5-12(6-8-16)3-4-13-9-14(17)11-15(18)10-13/h3-11,17-18H,2H2,1H3/b4-3+
InChIKeyAKUPYSVGWDFPJV-ONEGZZNKSA-N
XLogP3.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
CID 67436297
5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene
CID 19039041
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid
CID 75052814
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
CID 57478513
ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 175502826

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol (CID 57478509) is 5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol is CCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol?
The InChIKey is AKUPYSVGWDFPJV-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-19-16-7-5-12(6-8-16)3-4-13-9-14(17)11-15(18)10-13/h3-11,17-18H,2H2,1H3/b4-3+.
What are the key properties of 5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol?
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol has a molecular weight of 256.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 57478509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).