chempirical

5-Phenyl-2-furaldehyde

C11H8O2CAS 13803-39-9172.18 g/mol

Open in Covalent MOL file
OO
Aldehyde

Properties

Molecular formula
C11H8O2
Molar mass
172.18 g/mol
Exact mass
172.0524 Da
logP
2.76Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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
13803-39-9
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)C=O
InChIKey
BMJHNNPEPBZULA-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O2/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Work with 5-Phenyl-2-furaldehyde

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

5-(4-Bromophenyl)furfural20005-42-965 % similar 5-(4-Chlorophenyl)-2-furaldehyde34035-03-565 % similar 5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-764 % similar 5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-658 % similar 5-(3-Trifluoromethyl-phenyl)-furan-2-carbaldehyde52130-30-057 % similar 2,5-Furandicarboxaldehyde823-82-556 % similar 2,5-Diphenylfuran955-83-956 % similar 5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-556 % similar

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

Same formula

Menadione58-27-5 2-Hydroxy-1-naphthaldehyde708-06-5 4-Hydroxy-1-naphthaldehyde7770-45-8 6-Hydroxy-2-naphthaldehyde78119-82-1 1-Naphthoic acid86-55-5 2-Naphthoic acid93-09-4

Elsewhere

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