1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene

C30H30O — CID 67814336

IUPAC1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene
SMILESCc1ccc(Cc2ccccc2COCc2ccccc2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C30H30O/c1-23-11-15-25(16-12-23)19-27-7-3-5-9-29(27)21-31-22-30-10-6-4-8-28(30)20-26-17-13-24(2)14-18-26/h3-18H,19-22H2,1-2H3
InChIKeyJQNYDIFFDXLMOP-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.20
Rot. Bonds8

About 1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene

1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene (PubChem CID 67814336) has the molecular formula C30H30O and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene
PubChem CID67814336
Molecular FormulaC30H30O
Molecular Weight406.57 g/mol
Exact Mass406.23
IUPAC Name1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene
SMILESCc1ccc(Cc2ccccc2COCc2ccccc2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C30H30O/c1-23-11-15-25(16-12-23)19-27-7-3-5-9-29(27)21-31-22-30-10-6-4-8-28(30)20-26-17-13-24(2)14-18-26/h3-18H,19-22H2,1-2H3
InChIKeyJQNYDIFFDXLMOP-UHFFFAOYSA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082
1-benzyl-4-methylbenzene;toluene
CID 144690555
butyl 4-[[2-[[2-[(4-butoxycarbonylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzoate
CID 67801514
1-methyl-5-[(4-methylphenyl)methyl]naphthalene
CID 18684384
2-[(4-methylphenyl)methyl]benzoate
CID 7039635
2-[(4-methylphenyl)methyl]-N-phenylaniline
CID 11708854
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine
CID 12660349
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene?
The IUPAC name of 1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene (CID 67814336) is 1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene.
What is the SMILES notation for 1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene?
The canonical SMILES for 1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene is Cc1ccc(Cc2ccccc2COCc2ccccc2Cc2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene?
The InChIKey is JQNYDIFFDXLMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O/c1-23-11-15-25(16-12-23)19-27-7-3-5-9-29(27)21-31-22-30-10-6-4-8-28(30)20-26-17-13-24(2)14-18-26/h3-18H,19-22H2,1-2H3.
What are the key properties of 1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene?
1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene has a molecular weight of 406.57 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene is sourced from PubChem (CID 67814336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).