1-methyl-2-[1-(3-methylphenyl)ethyl]benzene

C16H18 — CID 101325515

IUPAC1-methyl-2-[1-(3-methylphenyl)ethyl]benzene
SMILESCc1cccc(C(C)c2ccccc2C)c1
InChIInChI=1S/C16H18/c1-12-7-6-9-15(11-12)14(3)16-10-5-4-8-13(16)2/h4-11,14H,1-3H3
InChIKeyDYEUWFLKKAYRLI-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.46
Rot. Bonds2

About 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene

1-methyl-2-[1-(3-methylphenyl)ethyl]benzene (PubChem CID 101325515) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[1-(3-methylphenyl)ethyl]benzene
PubChem CID101325515
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-methyl-2-[1-(3-methylphenyl)ethyl]benzene
SMILESCc1cccc(C(C)c2ccccc2C)c1
InChIInChI=1S/C16H18/c1-12-7-6-9-15(11-12)14(3)16-10-5-4-8-13(16)2/h4-11,14H,1-3H3
InChIKeyDYEUWFLKKAYRLI-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene?
The IUPAC name of 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene (CID 101325515) is 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene?
The canonical SMILES for 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene is Cc1cccc(C(C)c2ccccc2C)c1.
What is the InChIKey of 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene?
The InChIKey is DYEUWFLKKAYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-12-7-6-9-15(11-12)14(3)16-10-5-4-8-13(16)2/h4-11,14H,1-3H3.
What are the key properties of 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene?
1-methyl-2-[1-(3-methylphenyl)ethyl]benzene has a molecular weight of 210.32 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-(3-methylphenyl)ethyl]benzene is sourced from PubChem (CID 101325515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).