1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene

C24H26 — CID 140875006

IUPAC1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
SMILESCCCc1ccc(CCc2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26/c1-3-4-20-7-9-21(10-8-20)11-12-22-13-17-24(18-14-22)23-15-5-19(2)6-16-23/h5-10,13-18H,3-4,11-12H2,1-2H3
InChIKeyXQVRHURCKRGFPT-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.40
Rot. Bonds6

About 1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene

1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene (PubChem CID 140875006) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
PubChem CID140875006
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
SMILESCCCc1ccc(CCc2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26/c1-3-4-20-7-9-21(10-8-20)11-12-22-13-17-24(18-14-22)23-15-5-19(2)6-16-23/h5-10,13-18H,3-4,11-12H2,1-2H3
InChIKeyXQVRHURCKRGFPT-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-methyl-4-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethynyl]benzene
CID 139767054
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene (CID 140875006) is 1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene is CCCc1ccc(CCc2ccc(-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene?
The InChIKey is XQVRHURCKRGFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-3-4-20-7-9-21(10-8-20)11-12-22-13-17-24(18-14-22)23-15-5-19(2)6-16-23/h5-10,13-18H,3-4,11-12H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene?
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene has a molecular weight of 314.47 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene is sourced from PubChem (CID 140875006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).