1-(2-ethenylphenyl)propane-1,2,3-triol

C11H14O3 — CID 170817426

IUPAC1-(2-ethenylphenyl)propane-1,2,3-triol
SMILESC=Cc1ccccc1C(O)C(O)CO
InChIInChI=1S/C11H14O3/c1-2-8-5-3-4-6-9(8)11(14)10(13)7-12/h2-6,10-14H,1,7H2
InChIKeyKXIHQTOSDBYYFV-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.72
Rot. Bonds4

About 1-(2-ethenylphenyl)propane-1,2,3-triol

1-(2-ethenylphenyl)propane-1,2,3-triol (PubChem CID 170817426) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2-ethenylphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-ethenylphenyl)propane-1,2,3-triol
PubChem CID170817426
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(2-ethenylphenyl)propane-1,2,3-triol
SMILESC=Cc1ccccc1C(O)C(O)CO
InChIInChI=1S/C11H14O3/c1-2-8-5-3-4-6-9(8)11(14)10(13)7-12/h2-6,10-14H,1,7H2
InChIKeyKXIHQTOSDBYYFV-UHFFFAOYSA-N
XLogP0.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid
CID 171877228
2-amino-2-(2-ethenylphenyl)ethanol
CID 55283581
1-(2-ethenylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889770
1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol
CID 170819149
1-ethenyl-2-pentan-3-ylbenzene
CID 20542388
phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone
CID 170818848
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921
2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170817732
1-(2-ethenylphenyl)ethanethiol
CID 22186241
1-(2-ethenylphenyl)propan-1-amine
CID 55283392
(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol
CID 130989539

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(2-ethenylphenyl)propane-1,2,3-triol (CID 170817426) is 1-(2-ethenylphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-ethenylphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-ethenylphenyl)propane-1,2,3-triol is C=Cc1ccccc1C(O)C(O)CO.
What is the InChIKey of 1-(2-ethenylphenyl)propane-1,2,3-triol?
The InChIKey is KXIHQTOSDBYYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-8-5-3-4-6-9(8)11(14)10(13)7-12/h2-6,10-14H,1,7H2.
What are the key properties of 1-(2-ethenylphenyl)propane-1,2,3-triol?
1-(2-ethenylphenyl)propane-1,2,3-triol has a molecular weight of 194.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170817426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).