5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid

C19H30O5 — CID 19971749

IUPAC5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid
SMILESCCC(O)CCc1c(C)c(O)c(C)c(C)c1OCCCCC(=O)O
InChIInChI=1S/C19H30O5/c1-5-15(20)9-10-16-14(4)18(23)12(2)13(3)19(16)24-11-7-6-8-17(21)22/h15,20,23H,5-11H2,1-4H3,(H,21,22)
InChIKeyOMRJILOWCVEPRZ-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.65
Rot. Bonds10

About 5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid

5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid (PubChem CID 19971749) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid.

Molecular Properties

Compound Name5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid
PubChem CID19971749
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid
SMILESCCC(O)CCc1c(C)c(O)c(C)c(C)c1OCCCCC(=O)O
InChIInChI=1S/C19H30O5/c1-5-15(20)9-10-16-14(4)18(23)12(2)13(3)19(16)24-11-7-6-8-17(21)22/h15,20,23H,5-11H2,1-4H3,(H,21,22)
InChIKeyOMRJILOWCVEPRZ-UHFFFAOYSA-N
XLogP3.65
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid?
The IUPAC name of 5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid (CID 19971749) is 5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid.
What is the SMILES notation for 5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid?
The canonical SMILES for 5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid is CCC(O)CCc1c(C)c(O)c(C)c(C)c1OCCCCC(=O)O.
What is the InChIKey of 5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid?
The InChIKey is OMRJILOWCVEPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-5-15(20)9-10-16-14(4)18(23)12(2)13(3)19(16)24-11-7-6-8-17(21)22/h15,20,23H,5-11H2,1-4H3,(H,21,22).
What are the key properties of 5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid?
5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid has a molecular weight of 338.44 g/mol, XLogP of 3.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-2-(3-hydroxypentyl)-3,5,6-trimethylphenoxy]pentanoic acid is sourced from PubChem (CID 19971749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).