methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate

C21H18O5 — CID 10315855

IUPACmethyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(Oc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C21H18O5/c1-23-16-7-9-18(10-8-16)26-20-13-11-19(12-14-20)25-17-5-3-15(4-6-17)21(22)24-2/h3-14H,1-2H3
InChIKeySPJSJBVIVZXRMS-UHFFFAOYSA-N
MW350.37 g/mol
LogP5.07
Rot. Bonds6

About methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate

methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate (PubChem CID 10315855) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
PubChem CID10315855
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Namemethyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(Oc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C21H18O5/c1-23-16-7-9-18(10-8-16)26-20-13-11-19(12-14-20)25-17-5-3-15(4-6-17)21(22)24-2/h3-14H,1-2H3
InChIKeySPJSJBVIVZXRMS-UHFFFAOYSA-N
XLogP5.07
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

formic acid;methyl 4-methoxybenzoate
CID 159779883
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate
CID 143113216
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate?
The IUPAC name of methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate (CID 10315855) is methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate.
What is the SMILES notation for methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate?
The canonical SMILES for methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate is COC(=O)c1ccc(Oc2ccc(Oc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate?
The InChIKey is SPJSJBVIVZXRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-23-16-7-9-18(10-8-16)26-20-13-11-19(12-14-20)25-17-5-3-15(4-6-17)21(22)24-2/h3-14H,1-2H3.
What are the key properties of methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate?
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate has a molecular weight of 350.37 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate is sourced from PubChem (CID 10315855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).