2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene

C22H22O — CID 134556504

IUPAC2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
SMILESCc1ccc(Oc2ccc(Cc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C22H22O/c1-16-5-10-21(11-6-16)23-22-12-7-19(8-13-22)15-20-9-4-17(2)14-18(20)3/h4-14H,15H2,1-3H3
InChIKeyYOSWIQJGTOCJMU-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.99
Rot. Bonds4

About 2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene

2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene (PubChem CID 134556504) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
PubChem CID134556504
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
SMILESCc1ccc(Oc2ccc(Cc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C22H22O/c1-16-5-10-21(11-6-16)23-22-12-7-19(8-13-22)15-20-9-4-17(2)14-18(20)3/h4-14H,15H2,1-3H3
InChIKeyYOSWIQJGTOCJMU-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
[2-methyl-4-(4-methylphenoxy)phenyl]methanol
CID 62134213
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
4-[(2,4-dimethylphenyl)methyl]benzoic acid
CID 116927178
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273599
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158013343

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene?
The IUPAC name of 2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene (CID 134556504) is 2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene is Cc1ccc(Oc2ccc(Cc3ccc(C)cc3C)cc2)cc1.
What is the InChIKey of 2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene?
The InChIKey is YOSWIQJGTOCJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-16-5-10-21(11-6-16)23-22-12-7-19(8-13-22)15-20-9-4-17(2)14-18(20)3/h4-14H,15H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene?
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene has a molecular weight of 302.42 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene is sourced from PubChem (CID 134556504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).