chempirical

3,4-Dimethoxybenzophenone

C15H14O3CAS 4038-14-6242.27 g/mol

Open in Covalent MOL file
OOO
EtherKetone

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
logP
2.93Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

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
4038-14-6
SMILES
COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)OC
InChIKey
WCNOATOQNSHEFK-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c1-17-13-9-8-12(10-14(13)18-2)15(16)11-6-4-3-5-7-11/h3-10H,1-2H3

Weigh it out

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Work with 3,4-Dimethoxybenzophenone

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-Methoxybenzophenone611-94-964 % similar 2-Methoxybenzophenone2553-04-060 % similar 3,4-Dimethoxyacetophenone1131-62-057 % similar Methyl 3,4-dimethoxybenzoate2150-38-156 % similar 3,4-Dimethoxybenzoyl chloride3535-37-356 % similar Veratric acid93-07-256 % similar 1,4-Dibenzoylbenzene3016-97-555 % similar 1,3-Dibenzoylbenzene3770-82-955 % similar

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

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-1 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-0 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-3 Fenoprofen31879-05-7 Methyl 4-benzyloxybenzoate32122-11-5 4-Methoxyresveratrol33626-08-3

Elsewhere

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