3-Methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde

C₁₅H₁₃NO₅CAS 81307-09-7287.27 g/mol

Open in Covalent MOL file

Aldehyde Ether Nitro

Properties

Molecular formula: C₁₅H₁₃NO₅
Molar mass: 287.27 g/mol
Exact mass: 287.0794 Da
logP: 2.99Crippen estimate
Polar surface area: 78.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

81307-09-7

SMILES

COC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChIKey

LBZHTZHIZXKRQK-UHFFFAOYSA-N

InChI

InChI=1S/C15H13NO5/c1-20-15-8-12(9-17)4-7-14(15)21-10-11-2-5-13(6-3-11)16(18)19/h2-9H,10H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-Methoxy-4-(P-nitrobenzyloxy)benzaldehyde

Work with 3-Methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde

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

4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-166 % similar 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde321432-05-765 % similar 4-[(4-Chlorobenzyl)oxy]-3-methoxybenzenecarbaldehyde70205-04-865 % similar 4-(4-Nitrobenzyloxy)benzaldehyde67565-48-463 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-059 % similar 4-Methoxy-3-nitrobenzaldehyde31680-08-758 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-254 % similar 4-Benzyloxy-3-methoxy-omega-nitrostyrene63909-38-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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