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

C15H16 — CID 21071

IUPAC1-methyl-4-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(C)cc2)cc1
InChIInChI=1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKeyHZAWPPRBCALFRN-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.89
Rot. Bonds2

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

1-methyl-4-[(4-methylphenyl)methyl]benzene (PubChem CID 21071) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(4-methylphenyl)methyl]benzene
PubChem CID21071
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-methyl-4-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(C)cc2)cc1
InChIInChI=1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKeyHZAWPPRBCALFRN-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 1-methyl-4-[(4-methylphenyl)methyl]benzene (CID 21071) is 1-methyl-4-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-methyl-4-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 1-methyl-4-[(4-methylphenyl)methyl]benzene is Cc1ccc(Cc2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[(4-methylphenyl)methyl]benzene?
The InChIKey is HZAWPPRBCALFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylphenyl)methyl]benzene?
1-methyl-4-[(4-methylphenyl)methyl]benzene has a molecular weight of 196.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 21071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).