butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene

C22H34 — CID 142590749

IUPACbutane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
SMILESCC.CCCC.Cc1ccc(C(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18.C4H10.C2H6/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16;1-3-4-2;1-2/h4-11,14H,1-3H3;3-4H2,1-2H3;1-2H3
InChIKeyLVZPQRISUNXBOU-UHFFFAOYSA-N
MW298.51 g/mol
LogP7.29
Rot. Bonds3

About butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene

butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene (PubChem CID 142590749) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Namebutane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
PubChem CID142590749
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Namebutane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
SMILESCC.CCCC.Cc1ccc(C(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18.C4H10.C2H6/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16;1-3-4-2;1-2/h4-11,14H,1-3H3;3-4H2,1-2H3;1-2H3
InChIKeyLVZPQRISUNXBOU-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
butane;1-ethyl-4-methylbenzene;methane;2-methylpropane
CID 160516837
1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
CID 161255951
4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile
CID 143144069
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
1-(1-bromopentan-2-yl)-4-methylbenzene
CID 79019482
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-(4-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 43105242
1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64620441
1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene
CID 142349807

Frequently Asked Questions

What is the IUPAC name of butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene?
The IUPAC name of butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene (CID 142590749) is butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene.
What is the SMILES notation for butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene?
The canonical SMILES for butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene is CC.CCCC.Cc1ccc(C(C)c2ccc(C)cc2)cc1.
What is the InChIKey of butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene?
The InChIKey is LVZPQRISUNXBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C4H10.C2H6/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16;1-3-4-2;1-2/h4-11,14H,1-3H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene?
butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene has a molecular weight of 298.51 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 142590749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).