ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate

C17H26O4 — CID 142675785

IUPACethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate
SMILESCCCC(CCOC(C)C(=O)OCC)c1ccc(O)cc1
InChIInChI=1S/C17H26O4/c1-4-6-14(15-7-9-16(18)10-8-15)11-12-21-13(3)17(19)20-5-2/h7-10,13-14,18H,4-6,11-12H2,1-3H3
InChIKeyFDOOCYRRKBMCES-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.63
Rot. Bonds9

About ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate

ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate (PubChem CID 142675785) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate
PubChem CID142675785
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Nameethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate
SMILESCCCC(CCOC(C)C(=O)OCC)c1ccc(O)cc1
InChIInChI=1S/C17H26O4/c1-4-6-14(15-7-9-16(18)10-8-15)11-12-21-13(3)17(19)20-5-2/h7-10,13-14,18H,4-6,11-12H2,1-3H3
InChIKeyFDOOCYRRKBMCES-UHFFFAOYSA-N
XLogP3.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate
CID 10265664
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl 2-bromo-2-(4-hydroxyphenyl)acetate
CID 88979124
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
3-ethoxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 140981315
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
CID 93477748
ethyl 2-[2-(4-hydroxyphenyl)propanoyloxy]-3-oxobutanoate
CID 21326470
ethyl 4,4-bis(4-hydroxyphenyl)-3-methylbutanoate
CID 70442287
4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
ethyl 4-chloro-4-(4-hydroxyphenyl)butanoate
CID 103440139
4-undecan-6-ylphenol
CID 66867197

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate?
The IUPAC name of ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate (CID 142675785) is ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate.
What is the SMILES notation for ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate?
The canonical SMILES for ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate is CCCC(CCOC(C)C(=O)OCC)c1ccc(O)cc1.
What is the InChIKey of ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate?
The InChIKey is FDOOCYRRKBMCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-4-6-14(15-7-9-16(18)10-8-15)11-12-21-13(3)17(19)20-5-2/h7-10,13-14,18H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate?
ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate has a molecular weight of 294.39 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-hydroxyphenyl)hexoxy]propanoate is sourced from PubChem (CID 142675785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).