ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate

C17H26O4 — CID 83039272

IUPACethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
SMILESCCCC(C(=O)OCC)C(C)(O)c1ccccc1OCC
InChIInChI=1S/C17H26O4/c1-5-10-14(16(18)21-7-3)17(4,19)13-11-8-9-12-15(13)20-6-2/h8-9,11-12,14,19H,5-7,10H2,1-4H3
InChIKeyRRKHEDUCWRQKJC-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.27
Rot. Bonds8

About ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate

ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate (PubChem CID 83039272) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
PubChem CID83039272
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Nameethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
SMILESCCCC(C(=O)OCC)C(C)(O)c1ccccc1OCC
InChIInChI=1S/C17H26O4/c1-5-10-14(16(18)21-7-3)17(4,19)13-11-8-9-12-15(13)20-6-2/h8-9,11-12,14,19H,5-7,10H2,1-4H3
InChIKeyRRKHEDUCWRQKJC-UHFFFAOYSA-N
XLogP3.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid
CID 83043570
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate
CID 115997209
ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate
CID 83042890
ethyl 2-[1-(3-chlorophenyl)-1-hydroxyethyl]pentanoate
CID 83042781
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
ethyl 2-(2-ethoxybenzoyl)pentanoate
CID 83043540
2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
CID 43754018
4-(2-ethoxyphenyl)-4-methylpentan-2-one
CID 64717616
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate?
The IUPAC name of ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate (CID 83039272) is ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate.
What is the SMILES notation for ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate?
The canonical SMILES for ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate is CCCC(C(=O)OCC)C(C)(O)c1ccccc1OCC.
What is the InChIKey of ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate?
The InChIKey is RRKHEDUCWRQKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-5-10-14(16(18)21-7-3)17(4,19)13-11-8-9-12-15(13)20-6-2/h8-9,11-12,14,19H,5-7,10H2,1-4H3.
What are the key properties of ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate?
ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate has a molecular weight of 294.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate is sourced from PubChem (CID 83039272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).