5-(Phenylmethoxy)-1H-indole-2-carboxylic acid
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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6640-09-1SMILES
O=C(O)c1cc2cc(OCc3ccccc3)ccc2[nH]1InChIKey
MVCLSAMNMAWXFQ-UHFFFAOYSA-NInChI
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
Similar compounds
Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate37033-95-765 % similar
5-Methoxy-1H-indole-2-carboxylic acid4382-54-161 % similar
5-(Trifluoromethoxy)indole-2-carboxylic acid175203-84-657 % similar
Indole-2-carboxylic acid1477-50-556 % similar
4-(Benzyloxy)benzoic acid1486-51-756 % similar
5-Amino-1H-indole-2-carboxylic acid152213-40-654 % similar
3,5-Bis(phenylmethoxy)benzoic acid28917-43-354 % similar
Indole-2,5-dicarboxylic acid117140-77-953 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.