1,3-Propanediol, 2-((4-allyl-2-methoxyphenoxy)methyl)-2-(hydroxymethyl)-
Basic information
- CAS
101101-44-4- Standard SMILES
C=CCc1ccc(OCC(CO)(CO)CO)c(OC)c1- InChIKey
JPVMLKAKVMSLKV-UHFFFAOYSA-N- Molecular formula
- C15H22O5
- Average molar mass
- 282.33 g/mol
- Monoisotopic mass
- 282.1467238
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-((4-allyl-2-methoxyphenoxy)methyl)-2-(hydroxymethyl)-
- IUPAC
- 2-(hydroxymethyl)-2-[(2-methoxy-4-prop-2-enylphenoxy)methyl]propane-1,3-diol
Names & synonyms
BRN 25341451,3-Propanediol, 2-((4-allyl-2-methoxyphenoxy)methyl)-2-(hydroxymethyl)-101101-44-4DTXSID501437342-((4-Allyl-2-methoxyphenoxy)methyl)-2-(hydroxymethyl)-1,3-propanediolRefChem:219574DTXCID70662252-(Hydroxymethyl)-2-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]methyl}propane-1,3-diol
Database identifiers
- CAS
101101-44-4- PubChem CID
- 3063571
- DTXSID
DTXSID50143734
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 269
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Compound notes
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