1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene

C22H30 — CID 134955292

IUPAC1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene
SMILESCCCC(CCCc1ccccc1C)Cc1ccc(C)cc1
InChIInChI=1S/C22H30/c1-4-8-20(17-21-15-13-18(2)14-16-21)10-7-12-22-11-6-5-9-19(22)3/h5-6,9,11,13-16,20H,4,7-8,10,12,17H2,1-3H3
InChIKeyQKVHLOXKHMBLEU-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.29
Rot. Bonds8

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

1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene (PubChem CID 134955292) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene
PubChem CID134955292
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene
SMILESCCCC(CCCc1ccccc1C)Cc1ccc(C)cc1
InChIInChI=1S/C22H30/c1-4-8-20(17-21-15-13-18(2)14-16-21)10-7-12-22-11-6-5-9-19(22)3/h5-6,9,11,13-16,20H,4,7-8,10,12,17H2,1-3H3
InChIKeyQKVHLOXKHMBLEU-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene 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

1-methyl-2-[5-(4-methylphenyl)pentyl]benzene
CID 173152052
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
1-[2-(chloromethyl)hexyl]-4-methylbenzene
CID 66033472
1-[2-(chloromethyl)heptyl]-4-methylbenzene
CID 66033261
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
1-methyl-2-(4-methylhexyl)benzene
CID 123235312
6-(2-methylphenyl)hexan-3-ol
CID 64514172
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
1-(2-methylphenyl)-3-(4-methylphenyl)propan-2-ol
CID 55137869
1-(4-chloropentyl)-2-methylbenzene
CID 64515868
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene?
The IUPAC name of 1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene (CID 134955292) is 1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene.
What is the SMILES notation for 1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene?
The canonical SMILES for 1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene is CCCC(CCCc1ccccc1C)Cc1ccc(C)cc1.
What is the InChIKey of 1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene?
The InChIKey is QKVHLOXKHMBLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-4-8-20(17-21-15-13-18(2)14-16-21)10-7-12-22-11-6-5-9-19(22)3/h5-6,9,11,13-16,20H,4,7-8,10,12,17H2,1-3H3.
What are the key properties of 1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene?
1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene has a molecular weight of 294.48 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene is sourced from PubChem (CID 134955292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).