1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene

C29H28O2 — CID 138632205

IUPAC1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene
SMILESCOCc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(COC)cc2)cc1
InChIInChI=1S/C29H28O2/c1-30-21-23-13-17-27(18-14-23)29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)28-19-15-24(16-20-28)22-31-2/h3-20H,21-22H2,1-2H3
InChIKeyGSMIITAHTIJDHZ-UHFFFAOYSA-N
MW408.54 g/mol
LogP6.36
Rot. Bonds8

About 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene

1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene (PubChem CID 138632205) has the molecular formula C29H28O2 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene.

Molecular Properties

Compound Name1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene
PubChem CID138632205
Molecular FormulaC29H28O2
Molecular Weight408.54 g/mol
Exact Mass408.21
IUPAC Name1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene
SMILESCOCc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(COC)cc2)cc1
InChIInChI=1S/C29H28O2/c1-30-21-23-13-17-27(18-14-23)29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)28-19-15-24(16-20-28)22-31-2/h3-20H,21-22H2,1-2H3
InChIKeyGSMIITAHTIJDHZ-UHFFFAOYSA-N
XLogP6.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
lithium;hydride;methoxymethylbenzene
CID 174456658
ethane;methoxymethylbenzene;propane
CID 144561349
1-(methoxymethyl)-4-[[4-(methoxymethyl)-3-methylphenyl]-diphenylmethyl]-2-methylbenzene;2-(methoxymethyl)-6-[[6-(methoxymethyl)naphthalen-2-yl]-diphenylmethyl]naphthalene;2-(methoxymethyl)-1-[2-(methoxymethyl)naphthalen-1-yl]naphthalene;1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene
CID 163623788
4-[(4-tritylphenyl)methoxymethyl]benzoic acid
CID 174525236
formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
1-(methoxymethyl)-4-phenylsulfanylbenzene
CID 174608576
[4-(methoxymethyl)phenyl]-diphenylphosphane
CID 22609699
formaldehyde;1-(methoxymethyl)-4-phenylbenzene
CID 168878800
hydroperoxymethane;methoxymethylbenzene;propane
CID 91284821

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene?
The IUPAC name of 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene (CID 138632205) is 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene.
What is the SMILES notation for 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene?
The canonical SMILES for 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene is COCc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(COC)cc2)cc1.
What is the InChIKey of 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene?
The InChIKey is GSMIITAHTIJDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2/c1-30-21-23-13-17-27(18-14-23)29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)28-19-15-24(16-20-28)22-31-2/h3-20H,21-22H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene?
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene has a molecular weight of 408.54 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene is sourced from PubChem (CID 138632205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).