1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene

C26H22O2 — CID 22967305

IUPAC1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
SMILESCc1cccc(Oc2ccc(-c3ccc(Oc4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C26H22O2/c1-19-5-3-7-25(17-19)27-23-13-9-21(10-14-23)22-11-15-24(16-12-22)28-26-8-4-6-20(2)18-26/h3-18H,1-2H3
InChIKeyHLZSGQOZPKERTK-UHFFFAOYSA-N
MW366.46 g/mol
LogP7.56
Rot. Bonds5

About 1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene

1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene (PubChem CID 22967305) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene.

Molecular Properties

Compound Name1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
PubChem CID22967305
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
SMILESCc1cccc(Oc2ccc(-c3ccc(Oc4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C26H22O2/c1-19-5-3-7-25(17-19)27-23-13-9-21(10-14-23)22-11-15-24(16-12-22)28-26-8-4-6-20(2)18-26/h3-18H,1-2H3
InChIKeyHLZSGQOZPKERTK-UHFFFAOYSA-N
XLogP7.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
3-methylaniline;1-methyl-3-phenoxybenzene
CID 144834027
1-iodo-2-methyl-4-(3-methylphenoxy)benzene
CID 135130038
1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene
CID 161224298
1-methyl-3-(4-nitrophenoxy)benzene
CID 16816

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene?
The IUPAC name of 1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene (CID 22967305) is 1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene.
What is the SMILES notation for 1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene?
The canonical SMILES for 1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene is Cc1cccc(Oc2ccc(-c3ccc(Oc4cccc(C)c4)cc3)cc2)c1.
What is the InChIKey of 1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene?
The InChIKey is HLZSGQOZPKERTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2/c1-19-5-3-7-25(17-19)27-23-13-9-21(10-14-23)22-11-15-24(16-12-22)28-26-8-4-6-20(2)18-26/h3-18H,1-2H3.
What are the key properties of 1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene?
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene has a molecular weight of 366.46 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene is sourced from PubChem (CID 22967305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).