1-methyl-3-[4-(4-propylphenyl)phenyl]benzene

C22H22 — CID 123480159

IUPAC1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H22/c1-3-5-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-7-4-6-17(2)16-22/h4,6-16H,3,5H2,1-2H3
InChIKeyZGKRUHFLJPLTJJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.28
Rot. Bonds4

About 1-methyl-3-[4-(4-propylphenyl)phenyl]benzene

1-methyl-3-[4-(4-propylphenyl)phenyl]benzene (PubChem CID 123480159) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-methyl-3-[4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
PubChem CID123480159
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H22/c1-3-5-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-7-4-6-17(2)16-22/h4,6-16H,3,5H2,1-2H3
InChIKeyZGKRUHFLJPLTJJ-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(4-propylphenyl)phenyl]benzene?
The IUPAC name of 1-methyl-3-[4-(4-propylphenyl)phenyl]benzene (CID 123480159) is 1-methyl-3-[4-(4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 1-methyl-3-[4-(4-propylphenyl)phenyl]benzene?
The canonical SMILES for 1-methyl-3-[4-(4-propylphenyl)phenyl]benzene is CCCc1ccc(-c2ccc(-c3cccc(C)c3)cc2)cc1.
What is the InChIKey of 1-methyl-3-[4-(4-propylphenyl)phenyl]benzene?
The InChIKey is ZGKRUHFLJPLTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-3-5-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-7-4-6-17(2)16-22/h4,6-16H,3,5H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(4-propylphenyl)phenyl]benzene?
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene has a molecular weight of 286.42 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 123480159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).