1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene

C22H22O2 — CID 59641480

IUPAC1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
SMILESCc1ccc(COc2ccc(COc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H22O2/c1-17-3-7-19(8-4-17)15-24-22-13-9-20(10-14-22)16-23-21-11-5-18(2)6-12-21/h3-14H,15-16H2,1-2H3
InChIKeyGFBZIZNLAHWOPI-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.46
Rot. Bonds6

About 1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene (PubChem CID 59641480) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
PubChem CID59641480
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
SMILESCc1ccc(COc2ccc(COc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H22O2/c1-17-3-7-19(8-4-17)15-24-22-13-9-20(10-14-22)16-23-21-11-5-18(2)6-12-21/h3-14H,15-16H2,1-2H3
InChIKeyGFBZIZNLAHWOPI-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline
CID 155469533
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 170162201
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
CID 176847126
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene?
The IUPAC name of 1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene (CID 59641480) is 1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene.
What is the SMILES notation for 1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene?
The canonical SMILES for 1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene is Cc1ccc(COc2ccc(COc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene?
The InChIKey is GFBZIZNLAHWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-17-3-7-19(8-4-17)15-24-22-13-9-20(10-14-22)16-23-21-11-5-18(2)6-12-21/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene?
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene has a molecular weight of 318.42 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene is sourced from PubChem (CID 59641480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).