methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate

C16H18O5 — CID 117240986

IUPACmethyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
SMILESCOC(=O)C(COc1ccccc1OC)c1ccc(C)o1
InChIInChI=1S/C16H18O5/c1-11-8-9-13(21-11)12(16(17)19-3)10-20-15-7-5-4-6-14(15)18-2/h4-9,12H,10H2,1-3H3
InChIKeyDSONQSAIHQZPAA-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.93
Rot. Bonds6

About methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate

methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate (PubChem CID 117240986) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
PubChem CID117240986
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Namemethyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
SMILESCOC(=O)C(COc1ccccc1OC)c1ccc(C)o1
InChIInChI=1S/C16H18O5/c1-11-8-9-13(21-11)12(16(17)19-3)10-20-15-7-5-4-6-14(15)18-2/h4-9,12H,10H2,1-3H3
InChIKeyDSONQSAIHQZPAA-UHFFFAOYSA-N
XLogP2.93
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16795378
2-(2-methoxyphenoxy)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 31001904
methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate
CID 117241145
methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
CID 117240950
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate
CID 117244304
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
1,5-bis(2-methoxyphenoxy)-2,4-bis(4-methoxyphenyl)pentan-3-one
CID 150588939
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117240952
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
CID 165430264
2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol
CID 117240483

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate?
The IUPAC name of methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate (CID 117240986) is methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate.
What is the SMILES notation for methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate?
The canonical SMILES for methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate is COC(=O)C(COc1ccccc1OC)c1ccc(C)o1.
What is the InChIKey of methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate?
The InChIKey is DSONQSAIHQZPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-11-8-9-13(21-11)12(16(17)19-3)10-20-15-7-5-4-6-14(15)18-2/h4-9,12H,10H2,1-3H3.
What are the key properties of methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate?
methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate has a molecular weight of 290.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate is sourced from PubChem (CID 117240986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).