1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol

C12H16O4 — CID 170819149

IUPAC1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol
SMILESC=CCOc1ccccc1C(O)C(O)CO
InChIInChI=1S/C12H16O4/c1-2-7-16-11-6-4-3-5-9(11)12(15)10(14)8-13/h2-6,10,12-15H,1,7-8H2
InChIKeyFHUUGJVDDPERGN-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.64
Rot. Bonds6

About 1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol

1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol (PubChem CID 170819149) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol
PubChem CID170819149
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol
SMILESC=CCOc1ccccc1C(O)C(O)CO
InChIInChI=1S/C12H16O4/c1-2-7-16-11-6-4-3-5-9(11)12(15)10(14)8-13/h2-6,10,12-15H,1,7-8H2
InChIKeyFHUUGJVDDPERGN-UHFFFAOYSA-N
XLogP0.64
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
tert-butyl N-[2,3-dihydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamate
CID 170833441
2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol
CID 23337701
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021
4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol
CID 102215116
(2-prop-2-enoxyphenyl)methanol
CID 11137475
[2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate
CID 51033135
2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane
CID 141319005
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
1-(2-methoxyphenyl)butane-1,2,4-triol
CID 171871923
CID 54342981
CID 54342981
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol (CID 170819149) is 1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol is C=CCOc1ccccc1C(O)C(O)CO.
What is the InChIKey of 1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol?
The InChIKey is FHUUGJVDDPERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-7-16-11-6-4-3-5-9(11)12(15)10(14)8-13/h2-6,10,12-15H,1,7-8H2.
What are the key properties of 1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol?
1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol has a molecular weight of 224.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).