Basic information
- CAS
14960-63-5- Standard SMILES
COn1c(-c2ccccc2)c(C=O)c2ccccc21- InChIKey
BPVFSHVFYDLETP-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxaldehyde, 1-methoxy-2-phenyl-
- IUPAC
- 1-methoxy-2-phenylindole-3-carbaldehyde
- English name
- 1-methoxy-2-phenyl-1H-indole-3-carbaldehyde
- Molecular formula
- C16H13NO2
- Molecular weight
- 251.28
Names & synonyms
14960-63-53-Formyl-1-methoxy-2-phenylindole1H-Indole-3-carboxaldehyde, 1-methoxy-2-phenyl-EINECS 239-036-9DTXSID7065833RefChem:438723DTXCID60348451-Methoxy-2-phenyl-1H-indole-3-carbaldehyde1-methoxy-2-phenylindole-3-carbaldehyde1-methoxy-2-phenyl-3-indolecarboxaldehyde1-Methoxy-2-phenyl-1H-indole-3-carboxaldehydeKE2YRZ6MUA
Show more names
MLS001001679CHEMBL1605789SCHEMBL11691020BPVFSHVFYDLETP-UHFFFAOYSA-NHMS2846G04AKOS024341770NCGC00245595-01SMR000496213
Database identifiers
- CAS
14960-63-5- PubChem CID
- 84728
- DTXSID
DTXSID7065833- ChEMBL
CHEMBL1605789- UNII
- KE2YRZ6MUA
- EC Number
- 239-036-9
- Nikkaji
- J241.364G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
Solubility2.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- EPA Substance Registry System
- 1 H-Indole-3-carboxaldehyde, · 1H-Indole-3-carboxaldehyde, 1-methoxy-2-phenyl- (14960-63-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indole-3-carboxaldehyde, 1-methoxy-2-phenyl-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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