1,2-dimethyl-4-(6-phenylhexyl)benzene

C20H26 — CID 123294821

IUPAC1,2-dimethyl-4-(6-phenylhexyl)benzene
SMILESCc1ccc(CCCCCCc2ccccc2)cc1C
InChIInChI=1S/C20H26/c1-17-14-15-20(16-18(17)2)13-7-4-3-6-10-19-11-8-5-9-12-19/h5,8-9,11-12,14-16H,3-4,6-7,10,13H2,1-2H3
InChIKeyADLDSLVKJRSTNY-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.65
Rot. Bonds7

About 1,2-dimethyl-4-(6-phenylhexyl)benzene

1,2-dimethyl-4-(6-phenylhexyl)benzene (PubChem CID 123294821) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,2-dimethyl-4-(6-phenylhexyl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(6-phenylhexyl)benzene
PubChem CID123294821
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1,2-dimethyl-4-(6-phenylhexyl)benzene
SMILESCc1ccc(CCCCCCc2ccccc2)cc1C
InChIInChI=1S/C20H26/c1-17-14-15-20(16-18(17)2)13-7-4-3-6-10-19-11-8-5-9-12-19/h5,8-9,11-12,14-16H,3-4,6-7,10,13H2,1-2H3
InChIKeyADLDSLVKJRSTNY-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.65
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

1,2-dimethyl-4-octylbenzene
CID 14044616
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
4-(10,10-dimethylundecyl)-1,2-dimethylbenzene
CID 150895968
4-phenylbutylbenzene
CID 141301927
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
2,4-dihexyl-1-methylbenzene;toluene
CID 173347627
methane;4-phenylbutylbenzene
CID 173386802
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
4-(10-phenyldecyl)benzene-1,2-diol
CID 14057488
4-[2-[4-[5-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]pentyl]phenyl]ethyl]-2-methylaniline
CID 139903302

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(6-phenylhexyl)benzene?
The IUPAC name of 1,2-dimethyl-4-(6-phenylhexyl)benzene (CID 123294821) is 1,2-dimethyl-4-(6-phenylhexyl)benzene.
What is the SMILES notation for 1,2-dimethyl-4-(6-phenylhexyl)benzene?
The canonical SMILES for 1,2-dimethyl-4-(6-phenylhexyl)benzene is Cc1ccc(CCCCCCc2ccccc2)cc1C.
What is the InChIKey of 1,2-dimethyl-4-(6-phenylhexyl)benzene?
The InChIKey is ADLDSLVKJRSTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-17-14-15-20(16-18(17)2)13-7-4-3-6-10-19-11-8-5-9-12-19/h5,8-9,11-12,14-16H,3-4,6-7,10,13H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-(6-phenylhexyl)benzene?
1,2-dimethyl-4-(6-phenylhexyl)benzene has a molecular weight of 266.43 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(6-phenylhexyl)benzene is sourced from PubChem (CID 123294821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).