1-(4-Methoxyphenyl)-1,2-ethanediol
Basic information
- CAS
13603-63-9- Standard SMILES
COc1ccc(C(O)CO)cc1- InChIKey
CRTWVYYKVHLMDK-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-1,2-ethanediol
- IUPAC
- 1-(4-methoxyphenyl)ethane-1,2-diol
- English name
- 1,2-Ethanediol, (p-methoxyphenyl)-
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
13603-63-91-(4-Methoxyphenyl)-1,2-ethanediol1-(4-methoxyphenyl)ethane-1,2-diol1,2-ETHANEDIOL, (P-METHOXYPHENYL)-4-Methoxyphenylethyleneglycol1-(4'-methoxyphenyl)-1,2-ethandiolSCHEMBL4372787CRTWVYYKVHLMDK-UHFFFAOYSA-NDTXSID501298108MFCD11521288AKOS0063253911-(4-Methoxyphenyl)-1,2-ethanediol #
Show more names
1,2-Ethanediol, 1-(4-methoxyphenyl)-
1-(4'-methoxyphenyl)-1,2-dihydroxyethaneEN300-679356H79461
Database identifiers
- CAS
13603-63-9- PubChem CID
- 586364
- DTXSID
DTXSID501298108- Nikkaji
- J1.361.934D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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