5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol

C14H14O4 — CID 175833179

IUPAC5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol
SMILESOC1=CC(C=Cc2ccc(O)cc2)=CC(O)(O)C1
InChIInChI=1S/C14H14O4/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17,18)8-11/h1-8,15-18H,9H2
InChIKeyOGENANITSWMABP-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.86
Rot. Bonds2

About 5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol

5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol (PubChem CID 175833179) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol
PubChem CID175833179
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol
SMILESOC1=CC(C=Cc2ccc(O)cc2)=CC(O)(O)C1
InChIInChI=1S/C14H14O4/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17,18)8-11/h1-8,15-18H,9H2
InChIKeyOGENANITSWMABP-UHFFFAOYSA-N
XLogP1.86
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol?
The IUPAC name of 5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol (CID 175833179) is 5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol is OC1=CC(C=Cc2ccc(O)cc2)=CC(O)(O)C1.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol?
The InChIKey is OGENANITSWMABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17,18)8-11/h1-8,15-18H,9H2.
What are the key properties of 5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol?
5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol has a molecular weight of 246.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol is sourced from PubChem (CID 175833179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).