Basic information
- CAS
61128-87-8- Standard SMILES
COc1cccc2c1ccc1ccccc12- InChIKey
ONMKCYMMGBIVPT-UHFFFAOYSA-N- Molecular formula
- C15H12O
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.088815
Overview
1-methoxyphenanthrene is a member of phenanthrenes. It has a role as a mouse metabolite.
Names & identifiers
- Preferred name
- 1-Methoxyphenanthrene
- IUPAC
- 1-methoxyphenanthrene
- English name
- 1-Methoxyphenanthrene
- Molecular formula
- C15H12O
- Molecular weight
- 208.26
Names & synonyms
1-Methoxyphenanthrene834-99-1CHEBI:27753RefChem:105570961128-87-8Phenanthrene, methoxy-methyl 1-phenanthryl etherMETHOXYPHENANTHRENEPhenanthrene, 1-methoxy-1-Methoxyphenanthrene #Methyl-1-phenanthryl etherSCHEMBL1005616
Show more names
1-Methoxyphenanthrene in isooctane
SCHEMBL2778935DTXSID10210012ONMKCYMMGBIVPT-UHFFFAOYSA-NQ27103304
Database identifiers
- CAS
61128-87-8、834-99-1- PubChem CID
- 43547
- DTXSID
DTXSID10210012- ChEBI
CHEBI:27753- Nikkaji
- J101.757H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 100 · 100-102 °C
- Boiling point
- 375.5 · 375.5±11.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers2 total
T&W GROUP021-61551611 13296011611 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Additional notes
DefinitionChEBI: 1-methoxyphenanthrene is a member of phenanthrenes. It has a role as a mouse metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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