4-Iodo-1-chloro-2-(4-ethoxybenzyl)benzene

C15H14ClIOCAS 1103738-29-9372.63 g/mol

Open in Covalent MOL file
OICl
Aryl halideEther

Properties

Molecular formula
C15H14ClIO
Molar mass
372.63 g/mol
Exact mass
371.9778 Da
logP
4.93Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1103738-29-9
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)I)Cl
InChIKey
CZFRIPGHKLGMEU-UHFFFAOYSA-N
InChI
InChI=1S/C15H14ClIO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(17)5-8-15(12)16/h3-8,10H,2,9H2,1H3

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Names and synonyms

1 names
  • 1-Chloro-2-(4-ethoxybenzyl)-4-iodobenzene

Work with 4-Iodo-1-chloro-2-(4-ethoxybenzyl)benzene

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-Bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene461432-23-569 % similar (S)-3-[4-(2-Chlor-5-iod-benzyl)-phenoxy]-tetrahydro-furan915095-94-259 % similar (5-Iodo-2-chlorophenyl)(4-ethoxyphenyl)methanone1103738-26-655 % similar 1-Ethoxy-4-iodobenzene699-08-154 % similar Sotagliflozin1018899-04-150 % similar Dapagliflozin461432-26-850 % similar Ertugliflozin1210344-57-246 % similar (2S,3R,4S,5S)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6,6-bis(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol1528636-39-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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