methyl 3-(4-methoxyphenoxy)butanoate

C12H16O4 — CID 43536008

IUPACmethyl 3-(4-methoxyphenoxy)butanoate
SMILESCOC(=O)CC(C)Oc1ccc(OC)cc1
InChIInChI=1S/C12H16O4/c1-9(8-12(13)15-3)16-11-6-4-10(14-2)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyRQUXWRJASRIBEX-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.03
Rot. Bonds5

About methyl 3-(4-methoxyphenoxy)butanoate

methyl 3-(4-methoxyphenoxy)butanoate (PubChem CID 43536008) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenoxy)butanoate
PubChem CID43536008
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 3-(4-methoxyphenoxy)butanoate
SMILESCOC(=O)CC(C)Oc1ccc(OC)cc1
InChIInChI=1S/C12H16O4/c1-9(8-12(13)15-3)16-11-6-4-10(14-2)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyRQUXWRJASRIBEX-UHFFFAOYSA-N
XLogP2.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-(4-methoxyphenoxy)butanoate
CID 146594244
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate
CID 43536243
methyl 3-[4-(4-isothiocyanatobenzoyl)phenoxy]butanoate
CID 71538377
ethyl (3S)-3-[4-[4-[4-[(2S)-4-ethoxy-4-oxobutan-2-yl]oxyphenyl]phenyl]phenoxy]butanoate
CID 67763826
methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate
CID 15676624
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenoxy)butanoate?
The IUPAC name of methyl 3-(4-methoxyphenoxy)butanoate (CID 43536008) is methyl 3-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for methyl 3-(4-methoxyphenoxy)butanoate?
The canonical SMILES for methyl 3-(4-methoxyphenoxy)butanoate is COC(=O)CC(C)Oc1ccc(OC)cc1.
What is the InChIKey of methyl 3-(4-methoxyphenoxy)butanoate?
The InChIKey is RQUXWRJASRIBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-9(8-12(13)15-3)16-11-6-4-10(14-2)5-7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 3-(4-methoxyphenoxy)butanoate?
methyl 3-(4-methoxyphenoxy)butanoate has a molecular weight of 224.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 43536008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).