2-Methyl-3-phenyl-1H-indole
Basic information
- CAS
4757-69-1- Standard SMILES
Cc1[nH]c2ccccc2c1-c1ccccc1- InChIKey
FLOZFGKBZCCIHS-UHFFFAOYSA-N- Molecular formula
- C15H13N
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.10479942
Names & identifiers
- Preferred name
- 2-Methyl-3-phenyl-1H-indole
- IUPAC
- 2-methyl-3-phenyl-1H-indole
- English name
- 2-methyl-3-phenyl-1H-indole
- Molecular formula
- C15H13N
- Molecular weight
- 207.27
Names & synonyms
2-Methyl-3-phenyl-1H-indole4757-69-1DTXSID80300297RefChem:1063722DTXCID802514322-Methyl-3-phenylindoleIndole, 2-methyl-3-phenyl-1H-Indole, 2-methyl-3-phenyl-NSC135866SCHEMBL695820SCHEMBL8722153CHEMBL3605920
Show more names
3-Phenyl-2-methyl-1H-indole
SCHEMBL173838462-Methyl-3-phenyl-1H-indole #FLOZFGKBZCCIHS-UHFFFAOYSA-NSTK118031AKOS004901912CCG-317497NSC-135866Q63392826
Database identifiers
- CAS
4757-69-1- PubChem CID
- 282402
- DTXSID
DTXSID80300297- ChEMBL
CHEMBL3605920- Nikkaji
- J45.395A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 112.5 °C · 112.5 °C
- Boiling point
- 379.2 · 379.2±21.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- pka
- 17.32 · 17.32±0.30(Predicted)
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Related reactions
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Compound notes
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