ethyl 4-[(4-chlorophenyl)methoxy]butanoate

C13H17ClO3 — CID 71343720

IUPACethyl 4-[(4-chlorophenyl)methoxy]butanoate
SMILESCCOC(=O)CCCOCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClO3/c1-2-17-13(15)4-3-9-16-10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKeyUVMAZQADOGENDO-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.20
Rot. Bonds7

About ethyl 4-[(4-chlorophenyl)methoxy]butanoate

ethyl 4-[(4-chlorophenyl)methoxy]butanoate (PubChem CID 71343720) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is ethyl 4-[(4-chlorophenyl)methoxy]butanoate.

Molecular Properties

Compound Nameethyl 4-[(4-chlorophenyl)methoxy]butanoate
PubChem CID71343720
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Nameethyl 4-[(4-chlorophenyl)methoxy]butanoate
SMILESCCOC(=O)CCCOCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClO3/c1-2-17-13(15)4-3-9-16-10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKeyUVMAZQADOGENDO-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
6-[(4-chlorophenyl)methoxy]hexan-2-one
CID 65126289
ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate
CID 22340613
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
5-O-(4-chlorophenyl) 1-O-ethyl pentanedioate
CID 91718068
1-(4-chlorophenyl)-5-ethoxypentan-2-one
CID 105078038
4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide
CID 77056923
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 4-(2-bromo-4-chlorophenoxy)butanoate
CID 91657428
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
1-O-ethyl 10-O-[(4-iodophenyl)methyl] decanedioate
CID 91735271

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chlorophenyl)methoxy]butanoate?
The IUPAC name of ethyl 4-[(4-chlorophenyl)methoxy]butanoate (CID 71343720) is ethyl 4-[(4-chlorophenyl)methoxy]butanoate.
What is the SMILES notation for ethyl 4-[(4-chlorophenyl)methoxy]butanoate?
The canonical SMILES for ethyl 4-[(4-chlorophenyl)methoxy]butanoate is CCOC(=O)CCCOCc1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-[(4-chlorophenyl)methoxy]butanoate?
The InChIKey is UVMAZQADOGENDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c1-2-17-13(15)4-3-9-16-10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3.
What are the key properties of ethyl 4-[(4-chlorophenyl)methoxy]butanoate?
ethyl 4-[(4-chlorophenyl)methoxy]butanoate has a molecular weight of 256.73 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-chlorophenyl)methoxy]butanoate is sourced from PubChem (CID 71343720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).