[4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate

C14H18O5 — CID 66917141

IUPAC[4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate
SMILESCCCC(=O)Oc1ccc(OCC)cc1OC=CO
InChIInChI=1S/C14H18O5/c1-3-5-14(16)19-12-7-6-11(17-4-2)10-13(12)18-9-8-15/h6-10,15H,3-5H2,1-2H3
InChIKeyGUMPKWMTWORJQZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.20
Rot. Bonds7

About [4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate

[4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate (PubChem CID 66917141) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is [4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate.

Molecular Properties

Compound Name[4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate
PubChem CID66917141
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name[4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate
SMILESCCCC(=O)Oc1ccc(OCC)cc1OC=CO
InChIInChI=1S/C14H18O5/c1-3-5-14(16)19-12-7-6-11(17-4-2)10-13(12)18-9-8-15/h6-10,15H,3-5H2,1-2H3
InChIKeyGUMPKWMTWORJQZ-UHFFFAOYSA-N
XLogP3.20
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-butanoyloxy-4-propan-2-yloxyphenyl) butanoate
CID 140675572
[4-(2-oxoethoxy)-2-propan-2-yloxyphenyl] butanoate
CID 91142099
(2-decanoyloxy-4-nonoxyphenyl) decanoate
CID 140675613
(2-decanoyloxy-4-decoxyphenyl) decanoate
CID 140675721
(2-heptanoyloxy-4-heptoxyphenyl) heptanoate
CID 90024653
(4-butoxy-2-hexanoyloxyphenyl) hexanoate
CID 90031614
(2-butanoyloxy-4-phenoxyphenyl) butanoate
CID 140675552
[4-heptoxy-2-(5-methylhexanoyloxy)phenyl] 5-methylhexanoate
CID 90032600
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
(2,4-dimethoxyphenyl) pentanoate
CID 91361677
ethyl 3-(4-butanoyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoate
CID 3467794
[4-hexoxy-2-(3-methylbutanoyloxy)phenyl] 3-methylbutanoate
CID 142724577

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate?
The IUPAC name of [4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate (CID 66917141) is [4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate.
What is the SMILES notation for [4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate?
The canonical SMILES for [4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate is CCCC(=O)Oc1ccc(OCC)cc1OC=CO.
What is the InChIKey of [4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate?
The InChIKey is GUMPKWMTWORJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-5-14(16)19-12-7-6-11(17-4-2)10-13(12)18-9-8-15/h6-10,15H,3-5H2,1-2H3.
What are the key properties of [4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate?
[4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate has a molecular weight of 266.29 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-2-(2-hydroxyethenoxy)phenyl] butanoate is sourced from PubChem (CID 66917141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).