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

C29H36 — CID 22919353

IUPAC2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene
SMILESCCCCCCCc1cc(Cc2ccccc2C)ccc1Cc1ccccc1C
InChIInChI=1S/C29H36/c1-4-5-6-7-8-17-28-21-25(20-26-15-11-9-13-23(26)2)18-19-29(28)22-27-16-12-10-14-24(27)3/h9-16,18-19,21H,4-8,17,20,22H2,1-3H3
InChIKeyAZJSQAALHCPIBY-UHFFFAOYSA-N
MW384.61 g/mol
LogP8.00
Rot. Bonds10

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

2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene (PubChem CID 22919353) has the molecular formula C29H36 and a molecular weight of 384.61 g/mol. Its IUPAC name is 2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene
PubChem CID22919353
Molecular FormulaC29H36
Molecular Weight384.61 g/mol
Exact Mass384.28
IUPAC Name2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene
SMILESCCCCCCCc1cc(Cc2ccccc2C)ccc1Cc1ccccc1C
InChIInChI=1S/C29H36/c1-4-5-6-7-8-17-28-21-25(20-26-15-11-9-13-23(26)2)18-19-29(28)22-27-16-12-10-14-24(27)3/h9-16,18-19,21H,4-8,17,20,22H2,1-3H3
InChIKeyAZJSQAALHCPIBY-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene
CID 22919653
1,4-dibenzyl-2-octylbenzene
CID 22921224
1,4-bis[(2-octylphenyl)methyl]benzene
CID 22921262
1-[(2-methylphenyl)methyl]-2,3-dioctylbenzene
CID 173103678
1-methyl-2-pentylbenzene
CID 524553
1-methyl-2-[(2-methyl-5-octylphenyl)methyl]-4-octylbenzene
CID 20659544
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline
CID 22919860
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-octylphenyl]methyl]phenyl]methyl]phenyl]methyl]-2-octylphenyl]methyl]aniline
CID 22919852
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-octylphenyl]methyl]phenyl]methyl]aniline
CID 18976677
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-2-octylphenyl]methyl]-3-octylphenyl]methyl]phenyl]methyl]aniline
CID 18976779
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-octylphenyl]methyl]-2-octylphenyl]methyl]phenyl]methyl]aniline
CID 22920658
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-hexylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22919912

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene?
The IUPAC name of 2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene (CID 22919353) is 2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene.
What is the SMILES notation for 2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene?
The canonical SMILES for 2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene is CCCCCCCc1cc(Cc2ccccc2C)ccc1Cc1ccccc1C.
What is the InChIKey of 2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene?
The InChIKey is AZJSQAALHCPIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36/c1-4-5-6-7-8-17-28-21-25(20-26-15-11-9-13-23(26)2)18-19-29(28)22-27-16-12-10-14-24(27)3/h9-16,18-19,21H,4-8,17,20,22H2,1-3H3.
What are the key properties of 2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene?
2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene has a molecular weight of 384.61 g/mol, XLogP of 8.00, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene is sourced from PubChem (CID 22919353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).