1-Methyl-3-phenylindane

C₁₆H₁₆CAS 6416-39-3208.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₆
Molar mass: 208.30 g/mol
Exact mass: 208.1252 Da
logP: 4.33Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

6416-39-3

SMILES

CC1CC(C2=CC=CC=C12)C3=CC=CC=C3

InChIKey

JHIDJKSBZPNVKZ-UHFFFAOYSA-N

InChI

InChI=1S/C16H16/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3

Weigh it out

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

Names and synonyms

7 names

1-Methyl-3-phenyl-2,3-dihydro-1H-indene
1-Methyl-3-phenylindan
1H-Indene, 2,3-dihydro-1-methyl-3-phenyl-
Indan, 1-methyl-3-phenyl-
2,3-Dihydro-1-methyl-3-phenyl-1h-indene
1-Methyl-3-phenyl-indane
Indane, 1-methyl-3-phenyl-

Reactions

1-METHYL-3-PHENYLINDANE (Indan, 1-methyl-3-phenyl-)product

Work with 1-Methyl-3-phenylindane

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

sec-Butylbenzene135-98-847 % similar 2-Phenyl-1-propanol1123-85-945 % similar 1-Bromo-2-phenylpropane1459-00-345 % similar (2S)-2-Phenylpropan-1-amine17596-79-145 % similar (R)-2-Phenyl-1-propylamine28163-64-645 % similar 2-Phenylpropanol37778-99-745 % similar (±)-2-Phenylpropylamine582-22-945 % similar 2-Phenyl-1-propanol98103-87-845 % similar

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

Same formula

[2.2]Paracyclophane1633-22-3

Elsewhere

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