Basic information
- CAS
2033-94-5- Standard SMILES
C#CC(C)(O)C(O)c1ccccc1- InChIKey
GQOXDWHRXDPZJK-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Overview
structure
Names & identifiers
- Preferred name
- 2-Methyl-1-phenyl-3-butyne-1,2-diol
- IUPAC
- 2-methyl-1-phenylbut-3-yne-1,2-diol
Names & synonyms
Centalun2033-94-53-Butyne-1,2-diol, 2-methyl-1-phenyl-3,4-Dihydroxy-3-methyl-4-phenyl-1-butyne2-METHYL-1-PHENYL-3-BUTYNE-1,2-DIOL3-Methyl-3,4-dihydroxy-4-phenyl-1-butyne3N20VGJ39YRefChem:1243282-methyl-1-phenylbut-3-yne-1,2-diol3-Methyl-4-phenyl-1-butyne-3,4-diol3-Methyl-3,4-dihydroxy-4-phenyl-butin-1KOE 339
Show more names
KO 339BRN 1909980UNII-3N20VGJ39YDL-Centalun1-Fenyl-2-methyl-3-butin-1,2-diol [Czech]3-Methyl-3,4-dihydroxy-4-phenyl-butin-1 [German]1-Fenyl-2-methyl-3-butin-1,2-diolstarbld0006204
Database identifiers
- CAS
2033-94-5- PubChem CID
- 16252
- DTXSID
DTXSID50942486- UNII
- 3N20VGJ39Y
- Nikkaji
- J7.853K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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