ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate

C14H20O5 — CID 64662769

IUPACethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1cc(CO)ccc1OC
InChIInChI=1S/C14H20O5/c1-4-11(14(16)18-5-2)19-13-8-10(9-15)6-7-12(13)17-3/h6-8,11,15H,4-5,9H2,1-3H3
InChIKeyFONUFMUFDNMTPZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.91
Rot. Bonds7

About ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate

ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate (PubChem CID 64662769) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
PubChem CID64662769
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1cc(CO)ccc1OC
InChIInChI=1S/C14H20O5/c1-4-11(14(16)18-5-2)19-13-8-10(9-15)6-7-12(13)17-3/h6-8,11,15H,4-5,9H2,1-3H3
InChIKeyFONUFMUFDNMTPZ-UHFFFAOYSA-N
XLogP1.91
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
CID 64660568
ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate
CID 64669906
ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
CID 64669501
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
ethyl 2-(2,4-dibromophenoxy)butanoate
CID 60730897
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43117670
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide
CID 55132583
ethyl 2-[4-(2-aminopropyl)-2-chlorophenoxy]butanoate
CID 64662197
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide
CID 107744970
ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
CID 124503178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate?
The IUPAC name of ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate (CID 64662769) is ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate.
What is the SMILES notation for ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate?
The canonical SMILES for ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate is CCOC(=O)C(CC)Oc1cc(CO)ccc1OC.
What is the InChIKey of ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate?
The InChIKey is FONUFMUFDNMTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-4-11(14(16)18-5-2)19-13-8-10(9-15)6-7-12(13)17-3/h6-8,11,15H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate?
ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate has a molecular weight of 268.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate is sourced from PubChem (CID 64662769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).