1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene

C26H34 — CID 161043198

IUPAC1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
SMILESCCC.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1
InChIInChI=1S/C15H16.C8H10.C3H8/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-7-3-5-8(2)6-4-7;1-3-2/h3-10H,11H2,1-2H3;3-6H,1-2H3;3H2,1-2H3
InChIKeyUBDLKOUVQCFYER-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.61
Rot. Bonds2

About 1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene

1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene (PubChem CID 161043198) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene.

Molecular Properties

Compound Name1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
PubChem CID161043198
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
SMILESCCC.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1
InChIInChI=1S/C15H16.C8H10.C3H8/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-7-3-5-8(2)6-4-7;1-3-2/h3-10H,11H2,1-2H3;3-6H,1-2H3;3H2,1-2H3
InChIKeyUBDLKOUVQCFYER-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
CID 91507263
1-ethyl-4-methylbenzene;propane
CID 144580802
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
CID 22408145
1-benzyl-4-methylbenzene;toluene
CID 144690555
benzylbenzene;propane;toluene
CID 90753545
methane;propane;1,4-xylene
CID 143560264
methane;propane;1,4-xylene
CID 160778309
ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene
CID 143037410
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene?
The IUPAC name of 1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene (CID 161043198) is 1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene.
What is the SMILES notation for 1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene?
The canonical SMILES for 1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene is CCC.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene?
The InChIKey is UBDLKOUVQCFYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C8H10.C3H8/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-7-3-5-8(2)6-4-7;1-3-2/h3-10H,11H2,1-2H3;3-6H,1-2H3;3H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene?
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene has a molecular weight of 346.56 g/mol, XLogP of 7.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene is sourced from PubChem (CID 161043198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).