(1-Ethylpropyl)benzene

C₁₁H₁₆CAS 1196-58-3148.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆
Molar mass: 148.25 g/mol
Exact mass: 148.1252 Da
logP: 3.59Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

1196-58-3

SMILES

CCC(CC)C1=CC=CC=C1

InChIKey

PBWHJRFXUPLZDS-UHFFFAOYSA-N

InChI

InChI=1S/C11H16/c1-3-10(4-2)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

Weigh it out

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Names and synonyms

1 names

3-Phenylpentane

Work with (1-Ethylpropyl)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

1,1-Diphenylpropane1530-03-664 % similar sec-Butylbenzene135-98-858 % similar Phenylcyclopropane873-49-457 % similar (+)-1-Phenyl-1-propanol1565-74-856 % similar 1-Phenylpropan-1-amine2941-20-056 % similar (+)-1-Phenylpropylamine3082-64-256 % similar (1S)-1-Phenylpropan-1-amine3789-59-156 % similar (S)-1-Phenylpropanol613-87-656 % similar

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

Same formula

Neopentylbenzene1007-26-7 Isopentylbenzene2049-94-7 tert-Amylbenzene2049-95-8 Pentylbenzene538-68-1 Pentamethylbenzene700-12-9 4-tert-Butyltoluene98-51-1

Elsewhere

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