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Molecule record

1-methyl-4-phenylbenzene

C13H12

168.24 g/mol

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Molecular properties

Formula
C13H12
Molar mass
168.24 g·mol−1
Exact mass
168.0939 Da
8
PubChem CID
12566

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (4-Methylphenyl)benzene
  • 1,1'-Biphenyl, 4-methyl-
  • 13J700766D
  • 4-05-00-01860 (Beilstein Handbook Reference)
  • 4-Methylbiphenyl
  • 4-Methyldiphenyl
  • 4-Phenyltoluene
  • 644-08-6
Show all 24 synonyms
  • BRN 1904468
  • Biphenyl, 4-methyl-
  • DTXCID2027177
  • DTXSID4047177
  • EINECS 211-409-0
  • FEMA 3186
  • FEMA No. 3186
  • METHYLBIPHENYL, 4-
  • Methylphenylbenzene, p-
  • NSC 407669
  • P-METHYLBIPHENYL [FHFI]
  • Phenyltoluene, p-
  • p-Methylbiphenyl
  • p-Methyldiphenyl
  • p-Phenyltoluene
  • pMethylbiphenyl

Structure identifiers

Canonical SMILES
Cc1ccc(-c2ccccc2)cc1
Isomeric SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
ZZLCFHIKESPLTH-UHFFFAOYSA-N
PubChem CID
12566

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-methyl-4-phenylbenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-methyl-4-phenylbenzene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record