Basic information
- CAS
1349708-78-6- Standard SMILES
O=C(O)c1ccc2ccn(-c3cccc(CO)c3)c2c1- InChIKey
VJRWBKDMIAAELN-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 1-(3-(Hydroxymethyl)phenyl)-1H-indole-6-carboxylic acid
- IUPAC
- 1-[3-(hydroxymethyl)phenyl]indole-6-carboxylic acid
- English name
- 1-(3-Hydroxymethylphenyl)-1H-indole-5-carboxylic acid
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
1349708-78-61-(3-(Hydroxymethyl)phenyl)-1H-indole-6-carboxylic acid1-[3-(hydroxymethyl)phenyl]-1H-indole-6-carboxylic acid1-(3-Hydroxymethylphenyl)-1H-indole-6-carboxylic acid1-(3-(Hydroxymethyl)phenyl)-1H-indole-6-carboxylicacid3-(Indolin-5-yl)benzyl alcohol3-(1H-Indol-7-yl)benzyl alcohol3-(1H-Indol-6-yl)benzyl alcohol3-(1H-Indol-5-yl)benzyl alcohol3-(1H-Indol-4-yl)benzyl alcohol3-(1H-Indol-1-yl)benzyl alcohol3-(Quinolin-3-yl)benzyl alcohol
Show more names
3-(Quinolin-6-yl)benzyl alcohol3-(1H-Pyrrol-1-yl)benzyl alcohol3-(1H-Imidazol-1-yl)benzyl alcohol
Database identifiers
- CAS
1349708-78-6- PubChem CID
- 56604541
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 459.3 · 459.3±45.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 4.41 · 4.41±0.30(Predicted)
Chemistry & industry
Suppliers1 total
Aroz Technologies, LLC.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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