1-ethenylperoxy-3-phenoxypropan-2-ol

C11H14O4 — CID 135270100

IUPAC1-ethenylperoxy-3-phenoxypropan-2-ol
SMILESC=COOCC(O)COc1ccccc1
InChIInChI=1S/C11H14O4/c1-2-14-15-9-10(12)8-13-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2
InChIKeyNVYSTDUMDPQGNP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.52
Rot. Bonds7

About 1-ethenylperoxy-3-phenoxypropan-2-ol

1-ethenylperoxy-3-phenoxypropan-2-ol (PubChem CID 135270100) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-ethenylperoxy-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-ethenylperoxy-3-phenoxypropan-2-ol
PubChem CID135270100
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-ethenylperoxy-3-phenoxypropan-2-ol
SMILESC=COOCC(O)COc1ccccc1
InChIInChI=1S/C11H14O4/c1-2-14-15-9-10(12)8-13-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2
InChIKeyNVYSTDUMDPQGNP-UHFFFAOYSA-N
XLogP1.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-phenoxyhex-5-en-2-ol
CID 70488948
(2S)-1-phenoxybut-3-en-2-ol
CID 137281228
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
3-phenoxypropane-1,2-diol
CID 10857
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
actinium;3-phenoxypropane-1,2-diol
CID 22981458
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205
ethenol;1-phenoxy-3-[4-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol
CID 161011342
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246

Frequently Asked Questions

What is the IUPAC name of 1-ethenylperoxy-3-phenoxypropan-2-ol?
The IUPAC name of 1-ethenylperoxy-3-phenoxypropan-2-ol (CID 135270100) is 1-ethenylperoxy-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-ethenylperoxy-3-phenoxypropan-2-ol?
The canonical SMILES for 1-ethenylperoxy-3-phenoxypropan-2-ol is C=COOCC(O)COc1ccccc1.
What is the InChIKey of 1-ethenylperoxy-3-phenoxypropan-2-ol?
The InChIKey is NVYSTDUMDPQGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-14-15-9-10(12)8-13-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2.
What are the key properties of 1-ethenylperoxy-3-phenoxypropan-2-ol?
1-ethenylperoxy-3-phenoxypropan-2-ol has a molecular weight of 210.23 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylperoxy-3-phenoxypropan-2-ol is sourced from PubChem (CID 135270100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).