Basic information
- CAS
621-24-9- Standard SMILES
Cc1cccc(OCC(O)CO)c1- InChIKey
GIIBAUDXEXFBHL-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Names & identifiers
- Preferred name
- 3-(3-Methylphenoxy)-1,2-propanediol
- IUPAC
- 3-(3-methylphenoxy)propane-1,2-diol
- English name
- 3-(3-Methylphenoxy)-1,2-propanediol
- Molecular formula
- C10H14O3
- Molecular weight
- 182.22
Names & synonyms
621-24-93-(3-Methylphenoxy)-1,2-propanediolDTXSID501295192RefChem:1066729DTXCID2017257223-(m-Tolyloxy)-1,2-propanediol3-(3-methylphenoxy)propane-1,2-diol3-(m-Methylphenoxy)-1,2-propanediolm-Mephenesin1,2-Propanediol, 3-(m-tolyloxy)-NSC 25241BRN 1948930
Show more names
Bevantolol Impurity 023-(m-tolyloxy)propane-1,2-diol
1,2-Propanediol, 3-(3-methylphenoxy)-NSC252411, 3-(m-tolyloxy)-WLN: Q1YQ1OR C11, 3-(3-methylphenoxy)-SCHEMBL1496789SCHEMBL5097237SCHEMBL29366942
Database identifiers
- CAS
621-24-9- PubChem CID
- 95628
- DTXSID
DTXSID501295192- Nikkaji
- J50.913B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 354.7 · 354.7±27.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- pka
- 13.55 · 13.55±0.20(Predicted)
Chemistry & industry
Suppliers4 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
江西叶宏医药科技有限公司0793-15967982-804 13970348580 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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