ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate

C20H24O4 — CID 22340613

IUPACethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate
SMILESCCOC(=O)CCCOc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C20H24O4/c1-2-23-20(21)9-6-14-24-19-12-10-18(11-13-19)16-22-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3
InChIKeyQFSOGWPWPLFINF-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.13
Rot. Bonds10

About ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate

ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate (PubChem CID 22340613) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate
PubChem CID22340613
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Nameethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate
SMILESCCOC(=O)CCCOc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C20H24O4/c1-2-23-20(21)9-6-14-24-19-12-10-18(11-13-19)16-22-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3
InChIKeyQFSOGWPWPLFINF-UHFFFAOYSA-N
XLogP4.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
ethyl 4-[4-(2-phenylethynyl)phenoxy]butanoate
CID 154694040
ethyl 4-[4-(2-amino-2-oxoethyl)phenoxy]butanoate
CID 156541530
ethyl 3-[3-(4-benzylphenoxy)propyl-methylamino]propanoate
CID 11089571
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 4-[(4-chlorophenyl)methoxy]butanoate
CID 71343720
2-(4-phenylmethoxyphenyl)ethyl butanoate
CID 67494063
benzyl 4-propanoyloxybutanoate
CID 163613543
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
ethyl 6-(phenylmethoxyamino)hexanoate
CID 64974453
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate?
The IUPAC name of ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate (CID 22340613) is ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate.
What is the SMILES notation for ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate?
The canonical SMILES for ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate is CCOC(=O)CCCOc1ccc(COCc2ccccc2)cc1.
What is the InChIKey of ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate?
The InChIKey is QFSOGWPWPLFINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-2-23-20(21)9-6-14-24-19-12-10-18(11-13-19)16-22-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3.
What are the key properties of ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate?
ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate has a molecular weight of 328.41 g/mol, XLogP of 4.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate is sourced from PubChem (CID 22340613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).