1-Bromo-5-(4-methoxyphenyl)pentane

C₁₂H₁₇BrOCAS 14469-84-2257.17 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₂H₁₇BrO
Molar mass: 257.17 g/mol
Exact mass: 256.0463 Da
logP: 3.80Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14469-84-2

SMILES

COC1=CC=C(C=C1)CCCCCBr

InChIKey

INBIEXZCBBDGHT-UHFFFAOYSA-N

InChI

InChI=1S/C12H17BrO/c1-14-12-8-6-11(7-9-12)5-3-2-4-10-13/h6-9H,2-5,10H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-(5-Bromopentyl)-4-methoxybenzene

Work with 1-Bromo-5-(4-methoxyphenyl)pentane

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-Methoxybenzenebutanol52244-70-959 % similar 4-Methoxybenzyl bromide2746-25-057 % similar 3-(4-Methoxyphenyl)-1-propanol5406-18-856 % similar 1-Bromo-5-phenylpentane14469-83-155 % similar 1-Bromo-6-phenylhexane27976-27-855 % similar 1-Bromo-8-phenyloctane54646-75-255 % similar 1-Bromo-7-phenylheptane78573-85-055 % similar 1-Bromo-10-phenyldecane85562-26-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-(hexyloxy)benzene30752-19-3 Adamantyl bromomethyl ketone5122-82-7

Elsewhere

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