4-(Octyloxy)phenol

C₁₄H₂₂O₂CAS 3780-50-5222.33 g/mol

Open in Covalent MOL file

Ether Phenol

Properties

Molecular formula: C₁₄H₂₂O₂
Molar mass: 222.33 g/mol
Exact mass: 222.1620 Da
Melting point: 60–61 °C
Boiling point: 127–128 °C (at 3 Torr)
logP: 4.13Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3780-50-5

SMILES

CCCCCCCCOc1ccc(O)cc1

InChIKey

HFRUPPHPJRZOCM-UHFFFAOYSA-N

InChI

InChI=1S/C14H22O2/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11,15H,2-7,12H2,1H3

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

Names and synonyms

5 names

Phenol, 4-(octyloxy)-
Phenol, p-(octyloxy)-
Hydroquinone octyl ether
p-(Octyloxy)phenol
4-(n-Octyloxy)phenol

Work with 4-(Octyloxy)phenol

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-(Heptyloxy)phenol13037-86-0100 % similar 4-(Hexyloxy)phenol18979-55-0100 % similar 4-Butoxyphenol122-94-186 % similar 4-Propoxyphenol18979-50-572 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-369 % similar p-Bromophenyl octyl ether96693-05-969 % similar 1-Bromo-4-(pentyloxy)benzene30752-18-266 % similar p-Heptyloxyaniline39905-44-764 % similar

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

Same formula

3,5-Di-tert-butylcatechol1020-31-1 Isobornyl methacrylate7534-94-3 1,1'-Ethynylenedicyclohexanol78-54-6 2,5-Di-tert-butylhydroquinone88-58-4

Elsewhere

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