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1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

C28H38 — CID 159662015

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESC.CCc1ccc(CC)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20.C10H14.CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-3-9-5-7-10(4-2)8-6-9;/h5-12H,1-4H3;5-8H,3-4H2,1-2H3;1H4
InChIKeyMSXWPSJNVAKMIB-UHFFFAOYSA-N
MW374.61 g/mol
LogP8.08
Rot. Bonds4

About 1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (PubChem CID 159662015) has the molecular formula C28H38 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
PubChem CID159662015
Molecular FormulaC28H38
Molecular Weight374.61 g/mol
Exact Mass374.30
IUPAC Name1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESC.CCc1ccc(CC)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20.C10H14.CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-3-9-5-7-10(4-2)8-6-9;/h5-12H,1-4H3;5-8H,3-4H2,1-2H3;1H4
InChIKeyMSXWPSJNVAKMIB-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The IUPAC name of 1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (CID 159662015) is 1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is C.CCc1ccc(CC)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.
What is the InChIKey of 1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The InChIKey is MSXWPSJNVAKMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C10H14.CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-3-9-5-7-10(4-2)8-6-9;/h5-12H,1-4H3;5-8H,3-4H2,1-2H3;1H4.
What are the key properties of 1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene has a molecular weight of 374.61 g/mol, XLogP of 8.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 159662015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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