2,4-dihexyl-1-(2-phenylpropyl)benzene

C27H40 — CID 141434142

IUPAC2,4-dihexyl-1-(2-phenylpropyl)benzene
SMILESCCCCCCc1ccc(CC(C)c2ccccc2)c(CCCCCC)c1
InChIInChI=1S/C27H40/c1-4-6-8-11-15-24-19-20-27(26(22-24)18-12-9-7-5-2)21-23(3)25-16-13-10-14-17-25/h10,13-14,16-17,19-20,22-23H,4-9,11-12,15,18,21H2,1-3H3
InChIKeyLMEOZTAUEGIHHF-UHFFFAOYSA-N
MW364.62 g/mol
LogP8.28
Rot. Bonds13

About 2,4-dihexyl-1-(2-phenylpropyl)benzene

2,4-dihexyl-1-(2-phenylpropyl)benzene (PubChem CID 141434142) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is 2,4-dihexyl-1-(2-phenylpropyl)benzene.

Molecular Properties

Compound Name2,4-dihexyl-1-(2-phenylpropyl)benzene
PubChem CID141434142
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Name2,4-dihexyl-1-(2-phenylpropyl)benzene
SMILESCCCCCCc1ccc(CC(C)c2ccccc2)c(CCCCCC)c1
InChIInChI=1S/C27H40/c1-4-6-8-11-15-24-19-20-27(26(22-24)18-12-9-7-5-2)21-23(3)25-16-13-10-14-17-25/h10,13-14,16-17,19-20,22-23H,4-9,11-12,15,18,21H2,1-3H3
InChIKeyLMEOZTAUEGIHHF-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 58.28
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

2,4-dibutyl-1-(2-phenylpropyl)benzene
CID 141434105
1,4-dibenzyl-2-octylbenzene
CID 22921224
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175
2,4-dihexyl-1-methylbenzene;toluene
CID 173347627
1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482
4-nonyl-2-pentylphenol
CID 86162849
5-(7,7-diphenylheptyl)-2-pentylbenzonitrile
CID 57151208
2,4-bis(2-phenylpropyl)phenol
CID 118278794
cumene;1-hexyl-4-propan-2-ylbenzene;methane;propane
CID 157275582
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
1-decan-2-yl-3-octylbenzene
CID 173491759
1,4-dihexadecyl-2-phenoxybenzene
CID 101292199

Frequently Asked Questions

What is the IUPAC name of 2,4-dihexyl-1-(2-phenylpropyl)benzene?
The IUPAC name of 2,4-dihexyl-1-(2-phenylpropyl)benzene (CID 141434142) is 2,4-dihexyl-1-(2-phenylpropyl)benzene.
What is the SMILES notation for 2,4-dihexyl-1-(2-phenylpropyl)benzene?
The canonical SMILES for 2,4-dihexyl-1-(2-phenylpropyl)benzene is CCCCCCc1ccc(CC(C)c2ccccc2)c(CCCCCC)c1.
What is the InChIKey of 2,4-dihexyl-1-(2-phenylpropyl)benzene?
The InChIKey is LMEOZTAUEGIHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40/c1-4-6-8-11-15-24-19-20-27(26(22-24)18-12-9-7-5-2)21-23(3)25-16-13-10-14-17-25/h10,13-14,16-17,19-20,22-23H,4-9,11-12,15,18,21H2,1-3H3.
What are the key properties of 2,4-dihexyl-1-(2-phenylpropyl)benzene?
2,4-dihexyl-1-(2-phenylpropyl)benzene has a molecular weight of 364.62 g/mol, XLogP of 8.28, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihexyl-1-(2-phenylpropyl)benzene is sourced from PubChem (CID 141434142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).