5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid

C15H22O4 — CID 10445630

IUPAC5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
SMILESCc1cc(OCCCC(C)(C)C(=O)O)c(C)cc1O
InChIInChI=1S/C15H22O4/c1-10-9-13(11(2)8-12(10)16)19-7-5-6-15(3,4)14(17)18/h8-9,16H,5-7H2,1-4H3,(H,17,18)
InChIKeyVJICDPYDJADQNH-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.28
Rot. Bonds6

About 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid

5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid (PubChem CID 10445630) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
PubChem CID10445630
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
SMILESCc1cc(OCCCC(C)(C)C(=O)O)c(C)cc1O
InChIInChI=1S/C15H22O4/c1-10-9-13(11(2)8-12(10)16)19-7-5-6-15(3,4)14(17)18/h8-9,16H,5-7H2,1-4H3,(H,17,18)
InChIKeyVJICDPYDJADQNH-UHFFFAOYSA-N
XLogP3.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid?
The IUPAC name of 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid (CID 10445630) is 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid is Cc1cc(OCCCC(C)(C)C(=O)O)c(C)cc1O.
What is the InChIKey of 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid?
The InChIKey is VJICDPYDJADQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10-9-13(11(2)8-12(10)16)19-7-5-6-15(3,4)14(17)18/h8-9,16H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid?
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 10445630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).