chempirical

5-(Phenylmethoxy)-1H-indole-2-carboxylic acid

C16H13NO3CAS 6640-09-1267.28 g/mol

Open in Covalent MOL file
OOHONH
Carboxylic acidEther

Properties

Molecular formula
C16H13NO3
Molar mass
267.28 g/mol
Exact mass
267.0895 Da
Melting point
190 °C
logP
3.45Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
6640-09-1
SMILES
O=C(O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIKey
MVCLSAMNMAWXFQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H-Indole-2-carboxylic acid, 5-(phenylmethoxy)-
  • Indole-2-carboxylic acid, 5-(benzyloxy)-
  • 5-Benzyloxyindole-2-carboxylic acid
  • 5-Benzyloxy-1H-indole-2-carboxylic acid
  • NSC 30930
  • NSC 49096

Work with 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate37033-95-765 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-161 % similar Indole-2-carboxylic acid1477-50-556 % similar 4-(Benzyloxy)benzoic acid1486-51-756 % similar 3,5-Bis(phenylmethoxy)benzoic acid28917-43-354 % similar Indole-2,5-dicarboxylic acid117140-77-953 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-152 % similar 5-Methylindole-2-carboxylic acid10241-97-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one167869-21-8

Elsewhere

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