1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene

C28H26O3 — CID 67084607

IUPAC1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene
SMILESCc1ccccc1Oc1ccc(COCc2ccc(Oc3ccccc3C)cc2)cc1
InChIInChI=1S/C28H26O3/c1-21-7-3-5-9-27(21)30-25-15-11-23(12-16-25)19-29-20-24-13-17-26(18-14-24)31-28-10-6-4-8-22(28)2/h3-18H,19-20H2,1-2H3
InChIKeyVIGHAUOYZGORAN-UHFFFAOYSA-N
MW410.51 g/mol
LogP7.60
Rot. Bonds8

About 1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene

1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene (PubChem CID 67084607) has the molecular formula C28H26O3 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene.

Molecular Properties

Compound Name1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene
PubChem CID67084607
Molecular FormulaC28H26O3
Molecular Weight410.51 g/mol
Exact Mass410.19
IUPAC Name1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene
SMILESCc1ccccc1Oc1ccc(COCc2ccc(Oc3ccccc3C)cc2)cc1
InChIInChI=1S/C28H26O3/c1-21-7-3-5-9-27(21)30-25-15-11-23(12-16-25)19-29-20-24-13-17-26(18-14-24)31-28-10-6-4-8-22(28)2/h3-18H,19-20H2,1-2H3
InChIKeyVIGHAUOYZGORAN-UHFFFAOYSA-N
XLogP7.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
ethane;1-methyl-2-phenoxybenzene
CID 90950955
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine
CID 39288925
1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082
[4-(2,3-dimethylphenoxy)phenyl]methanol
CID 28946045
4-(2-methylphenoxy)benzenecarbothioamide
CID 20985850
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342
4-(2-methylphenoxy)benzoate
CID 7010211
2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene
CID 54377067
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene?
The IUPAC name of 1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene (CID 67084607) is 1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene.
What is the SMILES notation for 1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene?
The canonical SMILES for 1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene is Cc1ccccc1Oc1ccc(COCc2ccc(Oc3ccccc3C)cc2)cc1.
What is the InChIKey of 1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene?
The InChIKey is VIGHAUOYZGORAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O3/c1-21-7-3-5-9-27(21)30-25-15-11-23(12-16-25)19-29-20-24-13-17-26(18-14-24)31-28-10-6-4-8-22(28)2/h3-18H,19-20H2,1-2H3.
What are the key properties of 1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene?
1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene has a molecular weight of 410.51 g/mol, XLogP of 7.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene is sourced from PubChem (CID 67084607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).