2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid

C15H22O4 — CID 83043570

IUPAC2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid
SMILESCCCC(C(=O)O)C(C)(O)c1ccccc1OCC
InChIInChI=1S/C15H22O4/c1-4-8-12(14(16)17)15(3,18)11-9-6-7-10-13(11)19-5-2/h6-7,9-10,12,18H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyNVSYBAOSOIEKQL-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.79
Rot. Bonds7

About 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid

2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid (PubChem CID 83043570) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid.

Molecular Properties

Compound Name2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid
PubChem CID83043570
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid
SMILESCCCC(C(=O)O)C(C)(O)c1ccccc1OCC
InChIInChI=1S/C15H22O4/c1-4-8-12(14(16)17)15(3,18)11-9-6-7-10-13(11)19-5-2/h6-7,9-10,12,18H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyNVSYBAOSOIEKQL-UHFFFAOYSA-N
XLogP2.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
CID 83039272
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
CID 43754018
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61002876
4-(2-ethoxyphenyl)-4-methylpentan-2-one
CID 64717616
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
3-(2-ethoxyphenyl)-2-fluorobutanoic acid
CID 81358272
2-(2-methoxyphenyl)-3-methylhexan-2-ol
CID 107892512

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid?
The IUPAC name of 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid (CID 83043570) is 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid.
What is the SMILES notation for 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid?
The canonical SMILES for 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid is CCCC(C(=O)O)C(C)(O)c1ccccc1OCC.
What is the InChIKey of 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid?
The InChIKey is NVSYBAOSOIEKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-8-12(14(16)17)15(3,18)11-9-6-7-10-13(11)19-5-2/h6-7,9-10,12,18H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid?
2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid is sourced from PubChem (CID 83043570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).