1-(4-Methoxyphenyl)-1H-pyrrole

C₁₁H₁₁NOCAS 5145-71-1173.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₁NO
Molar mass: 173.22 g/mol
Exact mass: 173.0841 Da
logP: 2.49Crippen estimate
Polar surface area: 14.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

5145-71-1

SMILES

COC1=CC=C(C=C1)N2C=CC=C2

InChIKey

WYFMHHMFUMBCGI-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h2-9H,1H3

Weigh it out

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

Work with 1-(4-Methoxyphenyl)-1H-pyrrole

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

1-(4-Methoxyphenyl)-1H-imidazole10040-95-658 % similar 1,4-Dimethoxybenzene150-78-755 % similar Anisole100-66-348 % similar 4,4'-Dimethoxybiphenyl2132-80-148 % similar 1-Phenylpyrrole635-90-548 % similar 1-(4-Chlorophenyl)-1H-pyrrole5044-38-246 % similar 4-Methoxybiphenyl613-37-646 % similar N-(4-Fluorophenyl)pyrrole81329-31-946 % similar

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

Same formula

2-(Quinolin-2-yl)ethanol1011-50-3 6-Methoxy-2-methylquinoline1078-28-0 Indole-3-acetone1201-26-9 7-Ethyl-1H-indole-3-carbaldehyde154989-45-4 1,2-Dimethyl-1H-indole-3-carboxaldehyde38292-40-9 6-Methoxy-4-methylquinoline41037-26-7 Pyroquilon57369-32-1

Elsewhere

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