4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene

C22H22O2 — CID 58598667

IUPAC4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene
SMILESCOc1ccc(Oc2ccc(Cc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C22H22O2/c1-16-4-5-19(14-17(16)2)15-18-6-8-21(9-7-18)24-22-12-10-20(23-3)11-13-22/h4-14H,15H2,1-3H3
InChIKeyNZJLWJGTHJZAOO-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.70
Rot. Bonds5

About 4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene

4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene (PubChem CID 58598667) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene
PubChem CID58598667
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene
SMILESCOc1ccc(Oc2ccc(Cc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C22H22O2/c1-16-4-5-19(14-17(16)2)15-18-6-8-21(9-7-18)24-22-12-10-20(23-3)11-13-22/h4-14H,15H2,1-3H3
InChIKeyNZJLWJGTHJZAOO-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]phenyl]sulfonyl-1,2-dimethylbenzene
CID 58427648
1-methoxy-3-[(4-methoxy-3-methylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]benzene
CID 146175274
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate
CID 160887785
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
CID 91541647
4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
2-[(4-methoxyphenyl)methyl]-4,5-dimethylpyridine
CID 11172203
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
4-[2-bromo-4-(4-methoxyphenyl)butyl]-1,2-dimethylbenzene
CID 63544299
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene (CID 58598667) is 4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene is COc1ccc(Oc2ccc(Cc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene?
The InChIKey is NZJLWJGTHJZAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-16-4-5-19(14-17(16)2)15-18-6-8-21(9-7-18)24-22-12-10-20(23-3)11-13-22/h4-14H,15H2,1-3H3.
What are the key properties of 4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene?
4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene has a molecular weight of 318.42 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene is sourced from PubChem (CID 58598667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).