1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene

C16H18 — CID 607046

IUPAC1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2cc(C)ccc2C)cc1
InChIInChI=1S/C16H18/c1-12-5-8-15(9-6-12)11-16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3
InChIKeyIPBUXQXAOGGGBK-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.20
Rot. Bonds2

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

1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene (PubChem CID 607046) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene
PubChem CID607046
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2cc(C)ccc2C)cc1
InChIInChI=1S/C16H18/c1-12-5-8-15(9-6-12)11-16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3
InChIKeyIPBUXQXAOGGGBK-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene (CID 607046) is 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene is Cc1ccc(Cc2cc(C)ccc2C)cc1.
What is the InChIKey of 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene?
The InChIKey is IPBUXQXAOGGGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-12-5-8-15(9-6-12)11-16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene?
1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene has a molecular weight of 210.32 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 607046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).