1-methyl-4-[2-(4-methylphenyl)ethyl]benzene

C16H18 — CID 10854

IUPAC1-methyl-4-[2-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CCc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyXCCQFUHBIRHLQT-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.09
Rot. Bonds3

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

1-methyl-4-[2-(4-methylphenyl)ethyl]benzene (PubChem CID 10854) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylphenyl)ethyl]benzene
PubChem CID10854
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-methyl-4-[2-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CCc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyXCCQFUHBIRHLQT-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene?
The IUPAC name of 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene (CID 10854) is 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene?
The canonical SMILES for 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene is Cc1ccc(CCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene?
The InChIKey is XCCQFUHBIRHLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene?
1-methyl-4-[2-(4-methylphenyl)ethyl]benzene has a molecular weight of 210.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 10854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).