ethyl 4-[3-(methoxymethoxy)phenyl]butanoate

C14H20O4 — CID 23074340

IUPACethyl 4-[3-(methoxymethoxy)phenyl]butanoate
SMILESCCOC(=O)CCCc1cccc(OCOC)c1
InChIInChI=1S/C14H20O4/c1-3-17-14(15)9-5-7-12-6-4-8-13(10-12)18-11-16-2/h4,6,8,10H,3,5,7,9,11H2,1-2H3
InChIKeyZIXAUVINKGBLEZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.56
Rot. Bonds8

About ethyl 4-[3-(methoxymethoxy)phenyl]butanoate

ethyl 4-[3-(methoxymethoxy)phenyl]butanoate (PubChem CID 23074340) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 4-[3-(methoxymethoxy)phenyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-(methoxymethoxy)phenyl]butanoate
PubChem CID23074340
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nameethyl 4-[3-(methoxymethoxy)phenyl]butanoate
SMILESCCOC(=O)CCCc1cccc(OCOC)c1
InChIInChI=1S/C14H20O4/c1-3-17-14(15)9-5-7-12-6-4-8-13(10-12)18-11-16-2/h4,6,8,10H,3,5,7,9,11H2,1-2H3
InChIKeyZIXAUVINKGBLEZ-UHFFFAOYSA-N
XLogP2.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
ethyl 4-[3-(trifluoromethoxy)phenyl]butanoate
CID 86728216
ethyl 4-(3-aminophenyl)butanoate
CID 66895353
ethyl 4-[3-(methoxymethoxy)phenyl]-4-oxobutanoate
CID 175964150
ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
ethyl 5-(3-aminophenyl)pentanoate
CID 11775691
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 5-[3-(chloromethyl)phenyl]pentanoate
CID 129315336
ethyl 6-(3-sulfanylphenyl)hexanoate
CID 163434844
ethyl 5-[3-(2-amino-2-oxoethyl)phenyl]pentanoate
CID 170976296
ethyl 6-(3-methanethioylphenyl)hexanoate
CID 143474698
ethyl 4-[3-[2-(2,6-dimethylphenyl)ethenyl]phenyl]butanoate
CID 91383142

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(methoxymethoxy)phenyl]butanoate?
The IUPAC name of ethyl 4-[3-(methoxymethoxy)phenyl]butanoate (CID 23074340) is ethyl 4-[3-(methoxymethoxy)phenyl]butanoate.
What is the SMILES notation for ethyl 4-[3-(methoxymethoxy)phenyl]butanoate?
The canonical SMILES for ethyl 4-[3-(methoxymethoxy)phenyl]butanoate is CCOC(=O)CCCc1cccc(OCOC)c1.
What is the InChIKey of ethyl 4-[3-(methoxymethoxy)phenyl]butanoate?
The InChIKey is ZIXAUVINKGBLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-3-17-14(15)9-5-7-12-6-4-8-13(10-12)18-11-16-2/h4,6,8,10H,3,5,7,9,11H2,1-2H3.
What are the key properties of ethyl 4-[3-(methoxymethoxy)phenyl]butanoate?
ethyl 4-[3-(methoxymethoxy)phenyl]butanoate has a molecular weight of 252.31 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(methoxymethoxy)phenyl]butanoate is sourced from PubChem (CID 23074340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).