methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate

C25H26O4 — CID 23083192

IUPACmethyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate
SMILESCCOc1ccccc1-c1cccc(COc2ccc(CCC(=O)OC)cc2)c1
InChIInChI=1S/C25H26O4/c1-3-28-24-10-5-4-9-23(24)21-8-6-7-20(17-21)18-29-22-14-11-19(12-15-22)13-16-25(26)27-2/h4-12,14-15,17H,3,13,16,18H2,1-2H3
InChIKeyNKESLQHADJLLJP-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.44
Rot. Bonds9

About methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate

methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate (PubChem CID 23083192) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate
PubChem CID23083192
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Namemethyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate
SMILESCCOc1ccccc1-c1cccc(COc2ccc(CCC(=O)OC)cc2)c1
InChIInChI=1S/C25H26O4/c1-3-28-24-10-5-4-9-23(24)21-8-6-7-20(17-21)18-29-22-14-11-19(12-15-22)13-16-25(26)27-2/h4-12,14-15,17H,3,13,16,18H2,1-2H3
InChIKeyNKESLQHADJLLJP-UHFFFAOYSA-N
XLogP5.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate
CID 58903192
methyl 3-[4-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]phenyl]propanoate
CID 23159874
methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate
CID 23159922
methyl 3-[4-[[3-(4-hydroxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]propanoate
CID 57413460
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
CID 23136270
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
methyl 3-[4-[[3-[2-methyl-4-(3-pyridin-2-ylpropoxy)phenyl]phenyl]methoxy]phenyl]propanoate
CID 58903135
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate (CID 23083192) is methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate is CCOc1ccccc1-c1cccc(COc2ccc(CCC(=O)OC)cc2)c1.
What is the InChIKey of methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate?
The InChIKey is NKESLQHADJLLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-3-28-24-10-5-4-9-23(24)21-8-6-7-20(17-21)18-29-22-14-11-19(12-15-22)13-16-25(26)27-2/h4-12,14-15,17H,3,13,16,18H2,1-2H3.
What are the key properties of methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate?
methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate has a molecular weight of 390.48 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate is sourced from PubChem (CID 23083192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).