methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate

C17H18O5 — CID 170611745

IUPACmethyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)c(Oc2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C17H18O5/c1-11-9-12(17(18)21-4)10-15(20-3)16(11)22-14-7-5-13(19-2)6-8-14/h5-10H,1-4H3
InChIKeyPOLVJUOFEUCMPH-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.59
Rot. Bonds5

About methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate

methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate (PubChem CID 170611745) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
PubChem CID170611745
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)c(Oc2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C17H18O5/c1-11-9-12(17(18)21-4)10-15(20-3)16(11)22-14-7-5-13(19-2)6-8-14/h5-10H,1-4H3
InChIKeyPOLVJUOFEUCMPH-UHFFFAOYSA-N
XLogP3.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016
methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate
CID 155685944
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate
CID 10040701
methyl 4-[[5,8,11,20-tetrakis(4-methoxycarbonylphenoxy)-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]oxy]benzoate
CID 44542692
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 4-[4-(4-methoxycarbonylphenoxy)-3-methylphenoxy]benzoate
CID 161428030
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
methyl 4-(2-bromo-6-methylphenoxy)benzoate
CID 170962479
methyl 1-chloro-5-methoxyisoquinoline-7-carboxylate
CID 170744620
(4-formyl-2,6-dimethoxyphenyl) 4-methoxybenzoate
CID 820017

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate?
The IUPAC name of methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate (CID 170611745) is methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate.
What is the SMILES notation for methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate?
The canonical SMILES for methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate is COC(=O)c1cc(C)c(Oc2ccc(OC)cc2)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate?
The InChIKey is POLVJUOFEUCMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-11-9-12(17(18)21-4)10-15(20-3)16(11)22-14-7-5-13(19-2)6-8-14/h5-10H,1-4H3.
What are the key properties of methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate?
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate has a molecular weight of 302.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate is sourced from PubChem (CID 170611745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).