1-Methoxypyrene

C₁₇H₁₂OCAS 34246-96-3232.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₂O
Molar mass: 232.28 g/mol
Exact mass: 232.0888 Da
Melting point: 128–129 °C
logP: 4.59Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

34246-96-3

SMILES

COc1ccc2ccc3cccc4ccc1c2c34

InChIKey

CPPFVJLHDNOVTN-UHFFFAOYSA-N

InChI

InChI=1S/C17H12O/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10H,1H3

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

Names and synonyms

3 names

Pyrene, 1-methoxy-
3-Methoxypyrene
1-Hydroxypyrene methyl ether

Work with 1-Methoxypyrene

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-Methoxynaphthalene2216-69-555 % similar 1,4-Dimethoxynaphthalene10075-62-452 % similar 1-Aminopyrene1606-67-350 % similar 1-Methylpyrene2381-21-750 % similar (2-Methoxy-1-naphthyl)boronic acid104116-17-847 % similar 1-Bromo-2-methoxynaphthalene3401-47-647 % similar Pyrene129-00-046 % similar 1-Hydroxypyrene5315-79-745 % similar

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

Same formula

1-Pyrenemethanol24463-15-8 3-(9-Anthracenyl)-2-propenal38982-12-6 1-Benzoylnaphthalene642-29-5 2-Benzoylnaphthalene644-13-3

Elsewhere

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