2-(4-methoxyphenyl)-1,4-diphenylbenzene

C25H20O — CID 132547745

IUPAC2-(4-methoxyphenyl)-1,4-diphenylbenzene
SMILESCOc1ccc(-c2cc(-c3ccccc3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C25H20O/c1-26-23-15-12-21(13-16-23)25-18-22(19-8-4-2-5-9-19)14-17-24(25)20-10-6-3-7-11-20/h2-18H,1H3
InChIKeyQKGGVKSYZVHVRA-UHFFFAOYSA-N
MW336.43 g/mol
LogP6.70
Rot. Bonds4

About 2-(4-methoxyphenyl)-1,4-diphenylbenzene

2-(4-methoxyphenyl)-1,4-diphenylbenzene (PubChem CID 132547745) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,4-diphenylbenzene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,4-diphenylbenzene
PubChem CID132547745
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name2-(4-methoxyphenyl)-1,4-diphenylbenzene
SMILESCOc1ccc(-c2cc(-c3ccccc3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C25H20O/c1-26-23-15-12-21(13-16-23)25-18-22(19-8-4-2-5-9-19)14-17-24(25)20-10-6-3-7-11-20/h2-18H,1H3
InChIKeyQKGGVKSYZVHVRA-UHFFFAOYSA-N
XLogP6.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,4-diphenylbenzene?
The IUPAC name of 2-(4-methoxyphenyl)-1,4-diphenylbenzene (CID 132547745) is 2-(4-methoxyphenyl)-1,4-diphenylbenzene.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,4-diphenylbenzene?
The canonical SMILES for 2-(4-methoxyphenyl)-1,4-diphenylbenzene is COc1ccc(-c2cc(-c3ccccc3)ccc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,4-diphenylbenzene?
The InChIKey is QKGGVKSYZVHVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O/c1-26-23-15-12-21(13-16-23)25-18-22(19-8-4-2-5-9-19)14-17-24(25)20-10-6-3-7-11-20/h2-18H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1,4-diphenylbenzene?
2-(4-methoxyphenyl)-1,4-diphenylbenzene has a molecular weight of 336.43 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,4-diphenylbenzene is sourced from PubChem (CID 132547745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).