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

C17H18O3 — CID 67436297

IUPAC5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
SMILESCCCOc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C17H18O3/c1-2-9-20-17-7-5-13(6-8-17)3-4-14-10-15(18)12-16(19)11-14/h3-8,10-12,18-19H,2,9H2,1H3
InChIKeyVEXHFQBWHVHODL-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.06
Rot. Bonds5

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

5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol (PubChem CID 67436297) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
PubChem CID67436297
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
SMILESCCCOc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C17H18O3/c1-2-9-20-17-7-5-13(6-8-17)3-4-14-10-15(18)12-16(19)11-14/h3-8,10-12,18-19H,2,9H2,1H3
InChIKeyVEXHFQBWHVHODL-UHFFFAOYSA-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

3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
CID 57478513
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid
CID 75052814
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
4-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]butyl-triphenylphosphanium
CID 44589590
triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium
CID 176732616
[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]methanol
CID 10963487
1-(4-chlorobut-1-enyl)-4-propoxybenzene
CID 79604035
3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 11094483
3-[4-(4-propoxyphenyl)phenyl]prop-2-enoic acid
CID 67745559
1,3-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]-5-iodobenzene
CID 11029098
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol (CID 67436297) is 5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol is CCCOc1ccc(C=Cc2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol?
The InChIKey is VEXHFQBWHVHODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-9-20-17-7-5-13(6-8-17)3-4-14-10-15(18)12-16(19)11-14/h3-8,10-12,18-19H,2,9H2,1H3.
What are the key properties of 5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol?
5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol 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 5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 67436297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).