2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol

C14H12O3 — CID 56671758

IUPAC2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol
SMILESOc1ccc(O)c(/C=C/c2ccccc2O)c1
InChIInChI=1S/C14H12O3/c15-12-7-8-14(17)11(9-12)6-5-10-3-1-2-4-13(10)16/h1-9,15-17H/b6-5+
InChIKeyMHWWDKYDRGAOCG-AATRIKPKSA-N
MW228.25 g/mol
LogP2.97
Rot. Bonds2

About 2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol

2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol (PubChem CID 56671758) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol
PubChem CID56671758
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol
SMILESOc1ccc(O)c(/C=C/c2ccccc2O)c1
InChIInChI=1S/C14H12O3/c15-12-7-8-14(17)11(9-12)6-5-10-3-1-2-4-13(10)16/h1-9,15-17H/b6-5+
InChIKeyMHWWDKYDRGAOCG-AATRIKPKSA-N
XLogP2.97
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol?
The IUPAC name of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol (CID 56671758) is 2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol?
The canonical SMILES for 2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol is Oc1ccc(O)c(/C=C/c2ccccc2O)c1.
What is the InChIKey of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol?
The InChIKey is MHWWDKYDRGAOCG-AATRIKPKSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-7-8-14(17)11(9-12)6-5-10-3-1-2-4-13(10)16/h1-9,15-17H/b6-5+.
What are the key properties of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol?
2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol has a molecular weight of 228.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,4-diol is sourced from PubChem (CID 56671758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).