chempirical

Benzyl 3-hydroxyphenyl ether

C13H12O2CAS 3769-41-3200.24 g/mol

Open in Covalent MOL file
OOH
EtherPhenol

Properties

Molecular formula
C13H12O2
Molar mass
200.24 g/mol
Exact mass
200.0837 Da
logP
2.97Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

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
3769-41-3
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)O
InChIKey
FOTVZLOJAIEAOY-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,14H,10H2

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Names and synonyms

1 names
  • 3-Benzyloxyphenol

Work with Benzyl 3-hydroxyphenyl ether

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

1,3-Dibenzyloxybenzene3769-42-471 % similar 1-Iodo-3-(phenylmethoxy)benzene107623-21-264 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-764 % similar 3-(Benzyloxy)aniline1484-26-059 % similar 3-Benzyloxybenzyl bromide1700-31-859 % similar 1-Benzyloxy-3-bromobenzene53087-13-159 % similar 3-Benzyloxyphenylboronic acid156682-54-158 % similar 3-Phenoxyphenol713-68-858 % similar

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

Same formula

Monobenzone103-16-2 3-Phenoxybenzyl alcohol13826-35-2 2-Methoxyphenyl phenyl ether1695-04-1 2-Ethoxy-1-naphthalenecarboxaldehyde19523-57-0 (4-Phenoxyphenyl)methanol2215-78-3 2-[(1-Naphthalenyloxy)methyl]oxirane2461-42-9 Methyl 1-naphthylacetate2876-78-0 Ethyl 2-naphthoate3007-91-8

Elsewhere

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