1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene

C22H30 — CID 155693186

IUPAC1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
SMILESCc1ccc(CCC(C)C(C)CCc2cccc(C)c2)cc1
InChIInChI=1S/C22H30/c1-17-8-12-21(13-9-17)14-10-19(3)20(4)11-15-22-7-5-6-18(2)16-22/h5-9,12-13,16,19-20H,10-11,14-15H2,1-4H3
InChIKeyJJRHKMCUNUFDJQ-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.14
Rot. Bonds7

About 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene

1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene (PubChem CID 155693186) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
PubChem CID155693186
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
SMILESCc1ccc(CCC(C)C(C)CCc2cccc(C)c2)cc1
InChIInChI=1S/C22H30/c1-17-8-12-21(13-9-17)14-10-19(3)20(4)11-15-22-7-5-6-18(2)16-22/h5-9,12-13,16,19-20H,10-11,14-15H2,1-4H3
InChIKeyJJRHKMCUNUFDJQ-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
5-(3-methylphenyl)pentan-2-amine
CID 64502928
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
[1-(3-methylphenyl)-5-phenylpentan-3-yl]hydrazine
CID 105285956
4-[4-(3-methylphenyl)phenyl]butan-2-amine
CID 82542141
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene?
The IUPAC name of 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene (CID 155693186) is 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene.
What is the SMILES notation for 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene?
The canonical SMILES for 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene is Cc1ccc(CCC(C)C(C)CCc2cccc(C)c2)cc1.
What is the InChIKey of 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene?
The InChIKey is JJRHKMCUNUFDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-17-8-12-21(13-9-17)14-10-19(3)20(4)11-15-22-7-5-6-18(2)16-22/h5-9,12-13,16,19-20H,10-11,14-15H2,1-4H3.
What are the key properties of 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene?
1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene is sourced from PubChem (CID 155693186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).