chempirical

4-Butoxybenzenemethanol

C11H16O2CAS 6214-45-5180.25 g/mol

Open in Covalent MOL file
OOH
AlcoholEther

Properties

Molecular formula
C11H16O2
Molar mass
180.25 g/mol
Exact mass
180.1150 Da
Melting point
30–31 °C
Boiling point
135–137 °C (at 3 Torr)
logP
2.36Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6214-45-5
SMILES
CCCCOc1ccc(CO)cc1
InChIKey
MGKNBDBZIKPUFM-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,12H,2-3,8-9H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzenemethanol, 4-butoxy-
  • Benzyl alcohol, p-butoxy-
  • 4-Butoxybenzyl alcohol
  • p-Butoxybenzyl alcohol
  • NSC 69089
  • (4-Butoxyphenyl)methanol

Work with 4-Butoxybenzenemethanol

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-Ethoxybenzyl alcohol6214-44-467 % similar 4-Butoxyphenol122-94-163 % similar Np-4026027-38-358 % similar 4-Butoxyphenylacetonitrile38746-93-958 % similar Butyl phenyl ether1126-79-058 % similar 4-Butoxybenzeneacetic acid4547-57-358 % similar 4-Butoxybromobenzene39969-57-858 % similar 4-Butyloxyaniline4344-55-258 % similar

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

Same formula

Butylated hydroxyanisole121-00-6 (±)-Dihydroactinidiolide15356-74-8 Dihydroactinidiolide17092-92-1 Butylated hydroxyanisole25013-16-5 Olivetol500-66-3 (2E,4E,6Z)-Methyl deca-2,4,6-trienoate51544-64-0 4-Methoxybenzenebutanol52244-70-9 (Diethoxymethyl)benzene774-48-1

Elsewhere

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