Basic information
- CAS
59283-35-1- Standard SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccccc1- InChIKey
ZEKCBTQHDTUHRJ-UHFFFAOYSA-N- Molecular formula
- C19H19NO3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.13649347
Names & identifiers
- Preferred name
- (1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
- IUPAC
- 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)acetic acid
Names & synonyms
(1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetic acid59283-35-15JSR5TT2JJRefChem:2044502-(1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetic acid1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acidCHEMBL148756NSC-547745-methoxy-2-methyl-1-(phenylmethyl)-1H-indole-3-acetic acid2-(1-benzyl-5-methoxy-2-methylindol-3-yl)acetic acidI3NSCHEMBL7963016
Show more names
DTXSID40274304ZEKCBTQHDTUHRJ-UHFFFAOYSA-NNSC54774BDBM50055737DB03121PD007366NS000687261-Benzyl-5-methoxy-2-methyl-3-indoleacetic acid
Database identifiers
- CAS
59283-35-1- PubChem CID
- 1372
- DTXSID
DTXSID40274304- ChEMBL
CHEMBL148756- UNII
- 5JSR5TT2JJ
- Nikkaji
- J2.672.509G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
4 records
Compound notes
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