3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol

C17H18O3 — CID 57478513

IUPAC3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
SMILESCCCOc1cc(O)cc(/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C17H18O3/c1-2-9-20-17-11-14(10-16(19)12-17)4-3-13-5-7-15(18)8-6-13/h3-8,10-12,18-19H,2,9H2,1H3/b4-3+
InChIKeyQRLRLYWXFZKFCW-ONEGZZNKSA-N
MW270.33 g/mol
LogP4.06
Rot. Bonds5

About 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol

3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol (PubChem CID 57478513) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol.

Molecular Properties

Compound Name3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
PubChem CID57478513
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
SMILESCCCOc1cc(O)cc(/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C17H18O3/c1-2-9-20-17-11-14(10-16(19)12-17)4-3-13-5-7-15(18)8-6-13/h3-8,10-12,18-19H,2,9H2,1H3/b4-3+
InChIKeyQRLRLYWXFZKFCW-ONEGZZNKSA-N
XLogP4.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.06
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

5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
CID 67436297
4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol
CID 142671127
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol
CID 130411171
O-silyl resveratrol
CID 171364243
4-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]butyl-triphenylphosphanium iodide
CID 171355772
4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
CID 174686350
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium
CID 176732616
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol?
The IUPAC name of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol (CID 57478513) is 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol.
What is the SMILES notation for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol?
The canonical SMILES for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol is CCCOc1cc(O)cc(/C=C/c2ccc(O)cc2)c1.
What is the InChIKey of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol?
The InChIKey is QRLRLYWXFZKFCW-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-9-20-17-11-14(10-16(19)12-17)4-3-13-5-7-15(18)8-6-13/h3-8,10-12,18-19H,2,9H2,1H3/b4-3+.
What are the key properties of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol?
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol has a molecular weight of 270.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol is sourced from PubChem (CID 57478513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).