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

C15H14O3 — CID 6255462

IUPAC5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol
SMILESCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+
InChIKeyIHVRWFJGOIWMGC-NSCUHMNNSA-N
MW242.27 g/mol
LogP3.28
Rot. Bonds3

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

5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol (PubChem CID 6255462) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol
PubChem CID6255462
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol
SMILESCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+
InChIKeyIHVRWFJGOIWMGC-NSCUHMNNSA-N
XLogP3.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.28
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

Resveratrol
CID 445154
Pterostilbene
CID 5281727
Pinosylvin
CID 5280457
Phenoxodiol
CID 219100
4-Methoxybenzyl alcohol
CID 7738
Combretastatin A4
CID 5351344
Cis-Resveratrol
CID 1548910
Isorhapontigenin
CID 5318650
Trans-2,3',4,5'-tetrahydroxystilbene
CID 5281717
4-Methyl-2,6-dimethoxyphenol
CID 240925
4-Allyl-2,6-dimethoxyphenol
CID 226486
4-Vinylsyringol
CID 35960

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol (CID 6255462) is 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol is COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol?
The InChIKey is IHVRWFJGOIWMGC-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+.
What are the key properties of 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol?
5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol has a molecular weight of 242.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 6255462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).