ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate

C14H18O5 — CID 146282312

IUPACethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
SMILESCCOC(=O)CCCOc1cc(OC)ccc1C=O
InChIInChI=1S/C14H18O5/c1-3-18-14(16)5-4-8-19-13-9-12(17-2)7-6-11(13)10-15/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyVBRWQTKZYPXFEW-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.23
Rot. Bonds8

About ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate

ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate (PubChem CID 146282312) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
PubChem CID146282312
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
SMILESCCOC(=O)CCCOc1cc(OC)ccc1C=O
InChIInChI=1S/C14H18O5/c1-3-18-14(16)5-4-8-19-13-9-12(17-2)7-6-11(13)10-15/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyVBRWQTKZYPXFEW-UHFFFAOYSA-N
XLogP2.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
CID 19603738
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
ethyl 4-(4-formyl-3-nitrosophenoxy)butanoate
CID 130434963
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
ethyl 4-[3-formyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]butanoate
CID 19603699
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
4-(4-formyl-3-methoxyphenoxy)butanoic acid
CID 2759226
2-methoxy-4-(4-oxoheptoxy)benzaldehyde
CID 58198820
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate?
The IUPAC name of ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate (CID 146282312) is ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate.
What is the SMILES notation for ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate?
The canonical SMILES for ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate is CCOC(=O)CCCOc1cc(OC)ccc1C=O.
What is the InChIKey of ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate?
The InChIKey is VBRWQTKZYPXFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-18-14(16)5-4-8-19-13-9-12(17-2)7-6-11(13)10-15/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate?
ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate has a molecular weight of 266.29 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate is sourced from PubChem (CID 146282312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).