4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid

C16H24O5 — CID 106991547

IUPAC4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid
SMILESCOCCOCC(O)CC(Cc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H24O5/c1-12-3-5-13(6-4-12)9-14(16(18)19)10-15(17)11-21-8-7-20-2/h3-6,14-15,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyVQIZVMASQLRUHU-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.65
Rot. Bonds10

About 4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid

4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid (PubChem CID 106991547) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid
PubChem CID106991547
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid
SMILESCOCCOCC(O)CC(Cc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H24O5/c1-12-3-5-13(6-4-12)9-14(16(18)19)10-15(17)11-21-8-7-20-2/h3-6,14-15,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyVQIZVMASQLRUHU-UHFFFAOYSA-N
XLogP1.65
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
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 4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid?
The IUPAC name of 4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid (CID 106991547) is 4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid.
What is the SMILES notation for 4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid?
The canonical SMILES for 4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid is COCCOCC(O)CC(Cc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid?
The InChIKey is VQIZVMASQLRUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-12-3-5-13(6-4-12)9-14(16(18)19)10-15(17)11-21-8-7-20-2/h3-6,14-15,17H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid?
4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid has a molecular weight of 296.36 g/mol, XLogP of 1.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid is sourced from PubChem (CID 106991547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).