ethyl 2-[(4-methoxyphenyl)methoxy]butanoate

C14H20O4 — CID 64663670

IUPACethyl 2-[(4-methoxyphenyl)methoxy]butanoate
SMILESCCOC(=O)C(CC)OCc1ccc(OC)cc1
InChIInChI=1S/C14H20O4/c1-4-13(14(15)17-5-2)18-10-11-6-8-12(16-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3
InChIKeyZAQUVRRUCBWCOF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.55
Rot. Bonds7

About ethyl 2-[(4-methoxyphenyl)methoxy]butanoate

ethyl 2-[(4-methoxyphenyl)methoxy]butanoate (PubChem CID 64663670) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-[(4-methoxyphenyl)methoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxyphenyl)methoxy]butanoate
PubChem CID64663670
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nameethyl 2-[(4-methoxyphenyl)methoxy]butanoate
SMILESCCOC(=O)C(CC)OCc1ccc(OC)cc1
InChIInChI=1S/C14H20O4/c1-4-13(14(15)17-5-2)18-10-11-6-8-12(16-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3
InChIKeyZAQUVRRUCBWCOF-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649
ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
CID 53380978
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
ethyl 2-methoxybutanoate
CID 59767959
1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene
CID 10638119
ethyl (2S)-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanoate
CID 71001645

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxyphenyl)methoxy]butanoate?
The IUPAC name of ethyl 2-[(4-methoxyphenyl)methoxy]butanoate (CID 64663670) is ethyl 2-[(4-methoxyphenyl)methoxy]butanoate.
What is the SMILES notation for ethyl 2-[(4-methoxyphenyl)methoxy]butanoate?
The canonical SMILES for ethyl 2-[(4-methoxyphenyl)methoxy]butanoate is CCOC(=O)C(CC)OCc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxyphenyl)methoxy]butanoate?
The InChIKey is ZAQUVRRUCBWCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-13(14(15)17-5-2)18-10-11-6-8-12(16-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-[(4-methoxyphenyl)methoxy]butanoate?
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate has a molecular weight of 252.31 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxyphenyl)methoxy]butanoate is sourced from PubChem (CID 64663670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).