2,4,6-tris(ethenyl)benzene-1,3,5-triol

C12H12O3 — CID 164702069

IUPAC2,4,6-tris(ethenyl)benzene-1,3,5-triol
SMILESC=Cc1c(O)c(C=C)c(O)c(C=C)c1O
InChIInChI=1S/C12H12O3/c1-4-7-10(13)8(5-2)12(15)9(6-3)11(7)14/h4-6,13-15H,1-3H2
InChIKeyIQYGYYBHUBKQOG-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.73
Rot. Bonds3

About 2,4,6-tris(ethenyl)benzene-1,3,5-triol

2,4,6-tris(ethenyl)benzene-1,3,5-triol (PubChem CID 164702069) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2,4,6-tris(ethenyl)benzene-1,3,5-triol.

Molecular Properties

Compound Name2,4,6-tris(ethenyl)benzene-1,3,5-triol
PubChem CID164702069
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2,4,6-tris(ethenyl)benzene-1,3,5-triol
SMILESC=Cc1c(O)c(C=C)c(O)c(C=C)c1O
InChIInChI=1S/C12H12O3/c1-4-7-10(13)8(5-2)12(15)9(6-3)11(7)14/h4-6,13-15H,1-3H2
InChIKeyIQYGYYBHUBKQOG-UHFFFAOYSA-N
XLogP2.73
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174994220
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CID 163302498
2-ethenyl-3,4-dihydroxybenzoic acid
CID 176903031
3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol
CID 144779247
2-ethenyl-4-phenylbenzene-1,3-diol
CID 151131701
1,2-bis(ethenyl)-3,4,5,6-tetrafluorobenzene
CID 19989308
4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride
CID 71400939
3-ethenyl-2,4,6-triphenylphenol
CID 174543439
2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene
CID 144725265
3,4-bis(ethenyl)-2,5-dimethylidenefuran
CID 177233703
4-ethenylbenzene-1,2,3-triol
CID 22247516

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(ethenyl)benzene-1,3,5-triol?
The IUPAC name of 2,4,6-tris(ethenyl)benzene-1,3,5-triol (CID 164702069) is 2,4,6-tris(ethenyl)benzene-1,3,5-triol.
What is the SMILES notation for 2,4,6-tris(ethenyl)benzene-1,3,5-triol?
The canonical SMILES for 2,4,6-tris(ethenyl)benzene-1,3,5-triol is C=Cc1c(O)c(C=C)c(O)c(C=C)c1O.
What is the InChIKey of 2,4,6-tris(ethenyl)benzene-1,3,5-triol?
The InChIKey is IQYGYYBHUBKQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-4-7-10(13)8(5-2)12(15)9(6-3)11(7)14/h4-6,13-15H,1-3H2.
What are the key properties of 2,4,6-tris(ethenyl)benzene-1,3,5-triol?
2,4,6-tris(ethenyl)benzene-1,3,5-triol has a molecular weight of 204.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(ethenyl)benzene-1,3,5-triol is sourced from PubChem (CID 164702069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).