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

C15H22O5 — CID 162345426

IUPAC4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
SMILESCc1cc(OCC(O)CC(C)(C)C(=O)O)c(C)cc1O
InChIInChI=1S/C15H22O5/c1-9-6-13(10(2)5-12(9)17)20-8-11(16)7-15(3,4)14(18)19/h5-6,11,16-17H,7-8H2,1-4H3,(H,18,19)
InChIKeyPYKYMJQLAHENFY-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.25
Rot. Bonds6

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

4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid (PubChem CID 162345426) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
PubChem CID162345426
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
SMILESCc1cc(OCC(O)CC(C)(C)C(=O)O)c(C)cc1O
InChIInChI=1S/C15H22O5/c1-9-6-13(10(2)5-12(9)17)20-8-11(16)7-15(3,4)14(18)19/h5-6,11,16-17H,7-8H2,1-4H3,(H,18,19)
InChIKeyPYKYMJQLAHENFY-UHFFFAOYSA-N
XLogP2.25
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid?
The IUPAC name of 4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid (CID 162345426) is 4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid?
The canonical SMILES for 4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid is Cc1cc(OCC(O)CC(C)(C)C(=O)O)c(C)cc1O.
What is the InChIKey of 4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid?
The InChIKey is PYKYMJQLAHENFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-9-6-13(10(2)5-12(9)17)20-8-11(16)7-15(3,4)14(18)19/h5-6,11,16-17H,7-8H2,1-4H3,(H,18,19).
What are the key properties of 4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid?
4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 162345426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).