2-methyl-1,4-diphenylbenzene

C19H16 — CID 618460

IUPAC2-methyl-1,4-diphenylbenzene
SMILESCc1cc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C19H16/c1-15-14-18(16-8-4-2-5-9-16)12-13-19(15)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyVNLPFGAPKAMFHU-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.33
Rot. Bonds2

About 2-methyl-1,4-diphenylbenzene

2-methyl-1,4-diphenylbenzene (PubChem CID 618460) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-1,4-diphenylbenzene.

Molecular Properties

Compound Name2-methyl-1,4-diphenylbenzene
PubChem CID618460
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name2-methyl-1,4-diphenylbenzene
SMILESCc1cc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C19H16/c1-15-14-18(16-8-4-2-5-9-16)12-13-19(15)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyVNLPFGAPKAMFHU-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-diphenylbenzene?
The IUPAC name of 2-methyl-1,4-diphenylbenzene (CID 618460) is 2-methyl-1,4-diphenylbenzene.
What is the SMILES notation for 2-methyl-1,4-diphenylbenzene?
The canonical SMILES for 2-methyl-1,4-diphenylbenzene is Cc1cc(-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 2-methyl-1,4-diphenylbenzene?
The InChIKey is VNLPFGAPKAMFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-15-14-18(16-8-4-2-5-9-16)12-13-19(15)17-10-6-3-7-11-17/h2-14H,1H3.
What are the key properties of 2-methyl-1,4-diphenylbenzene?
2-methyl-1,4-diphenylbenzene has a molecular weight of 244.34 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-diphenylbenzene is sourced from PubChem (CID 618460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).