Basic information
- CAS
6327-85-1- Standard SMILES
COc1c(CO)cc(C)cc1CO- InChIKey
IFGNAVHGUKSSOI-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.09429431
Overview
See also: 2-Methoxy-5-methyl-1,3-benzenedimethanol (annotation moved to).
Names & identifiers
- Preferred name
- [3-(Hydroxymethyl)-2-methoxy-5-methylphenyl]methanol
- IUPAC
- [3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methanol
Names & synonyms
[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methanol6327-85-1(2-Methoxy-5-methyl-1,3-phenylene)dimethanolNSC17525Maybridge3_000933Oprea1_147871Oprea1_795983SCHEMBL3302064DTXSID50280592IFGNAVHGUKSSOI-UHFFFAOYSA-NHMS1433K092,6-di(hydroxymethyl)4-methylanisol
Show more names
CCG-45573NSC-17525AKOS024322230AS-0233IDI1_0123202,6-bis-hydroxymethyl-4-methyl-1-methoxybenzeneSR-01000635328-1
Database identifiers
- CAS
6327-85-1- PubChem CID
- 226768
- DTXSID
DTXSID50280592- Nikkaji
- J2.211.932J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
Related reactions
2 records
Compound notes
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