3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid

C15H22O4 — CID 118450223

IUPAC3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid
SMILESCCCC(CC)C(C(=O)O)c1ccc(O)c(OC)c1
InChIInChI=1S/C15H22O4/c1-4-6-10(5-2)14(15(17)18)11-7-8-12(16)13(9-11)19-3/h7-10,14,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyJJGLGCARBGAKCO-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.40
Rot. Bonds7

About 3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid

3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid (PubChem CID 118450223) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid.

Molecular Properties

Compound Name3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid
PubChem CID118450223
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid
SMILESCCCC(CC)C(C(=O)O)c1ccc(O)c(OC)c1
InChIInChI=1S/C15H22O4/c1-4-6-10(5-2)14(15(17)18)11-7-8-12(16)13(9-11)19-3/h7-10,14,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyJJGLGCARBGAKCO-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
4-hexan-2-yl-2-methoxyphenol
CID 10285881
propyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
CID 54017082
4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid
CID 165346911
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
1,2-bis(4-hydroxy-3-methoxyphenyl)butan-1-one
CID 162941342
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
N-hydroxy-2-(4-hydroxy-3-methoxyphenyl)decanamide
CID 123800302
2-[(3-ethoxy-4-hydroxyphenyl)-hydroxymethyl]pentanoic acid
CID 83043577

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid?
The IUPAC name of 3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid (CID 118450223) is 3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid.
What is the SMILES notation for 3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid?
The canonical SMILES for 3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid is CCCC(CC)C(C(=O)O)c1ccc(O)c(OC)c1.
What is the InChIKey of 3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid?
The InChIKey is JJGLGCARBGAKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-6-10(5-2)14(15(17)18)11-7-8-12(16)13(9-11)19-3/h7-10,14,16H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid?
3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid is sourced from PubChem (CID 118450223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).