3-Butoxyphenol

C10H14O2CAS 18979-72-1166.22 g/mol

Open in Covalent MOL file
OOH
EtherPhenol

Properties

Molecular formula
C10H14O2
Molar mass
166.22 g/mol
Exact mass
166.0994 Da
Boiling point
121 °C (at 4 Torr)
logP
2.57Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
18979-72-1
SMILES
CCCCOc1cccc(O)c1
InChIKey
VGIJZDWQVCXVNL-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2/c1-2-3-7-12-10-6-4-5-9(11)8-10/h4-6,8,11H,2-3,7H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Phenol, 3-butoxy-
  • Phenol, m-butoxy-
  • m-Butoxyphenol
  • Resorcinol monobutyl ether
  • 3-n-Butoxyphenol
  • NSC 35992
  • 3-Butyloxyphenol

Work with 3-Butoxyphenol

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

3-Ethoxyphenol621-34-169 % similar 3-Butoxyphenylboronic acid352534-81-761 % similar Butyl phenyl ether1126-79-059 % similar 4-(Heptyloxy)phenol13037-86-056 % similar 4-(Hexyloxy)phenol18979-55-056 % similar 4-(Octyloxy)phenol3780-50-556 % similar Benzyl 3-hydroxyphenyl ether3769-41-351 % similar 3-Methoxyphenol150-19-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 Camphoroquinone10334-26-6 Bornane-2,3-dione10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8

Elsewhere

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