4-(Heptyloxy)phenol

C₁₃H₂₀O₂CAS 13037-86-0208.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₀O₂
Molar mass: 208.30 g/mol
Exact mass: 208.1463 Da
Melting point: 60–63 °C
logP: 3.74Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

13037-86-0

SMILES

CCCCCCCOc1ccc(O)cc1

InChIKey

HZBABTUFXQLADL-UHFFFAOYSA-N

InChI

InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3

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

Names and synonyms

4 names

Phenol, 4-(heptyloxy)-
Phenol, p-(heptyloxy)-
p-(Heptyloxy)phenol
p-Heptoxyphenol

Work with 4-(Heptyloxy)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-(Hexyloxy)phenol18979-55-0100 % similar 4-(Octyloxy)phenol3780-50-5100 % 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-Dimethyladamantane-1-carboxylic acid14670-94-1 Ethyl 1-adamantanecarboxylate2094-73-7 Isobornyl acrylate5888-33-5

Elsewhere

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