4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid

C11H14O5 — CID 146586928

IUPAC4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid
SMILESCC(O)(CCC(=O)O)c1ccc(O)cc1O
InChIInChI=1S/C11H14O5/c1-11(16,5-4-10(14)15)8-3-2-7(12)6-9(8)13/h2-3,6,12-13,16H,4-5H2,1H3,(H,14,15)
InChIKeyHSOUWLVGABPQOK-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.17
Rot. Bonds4

About 4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid

4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid (PubChem CID 146586928) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid.

Molecular Properties

Compound Name4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid
PubChem CID146586928
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid
SMILESCC(O)(CCC(=O)O)c1ccc(O)cc1O
InChIInChI=1S/C11H14O5/c1-11(16,5-4-10(14)15)8-3-2-7(12)6-9(8)13/h2-3,6,12-13,16H,4-5H2,1H3,(H,14,15)
InChIKeyHSOUWLVGABPQOK-UHFFFAOYSA-N
XLogP1.17
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid
CID 66323839
4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid
CID 82972821
5-(2,5-dihydroxyphenyl)-5-methylnonanedioic acid
CID 88631936
(2S)-2-amino-2-(2,4-dihydroxyphenyl)propanoic acid
CID 130650508
4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol
CID 130673719
3-[tert-butyl-(2,4-dihydroxybenzoyl)amino]propanoic acid
CID 60825742
3-[(2,4-dihydroxybenzoyl)-methylamino]propanoic acid
CID 60989735
2-(2,4-difluorophenyl)-2-methylpentanedioic acid
CID 117050132
2-but-2-enylidene-9-(2,4-dihydroxyphenyl)-5,9-dimethyldecanoic acid
CID 88725164
4-(2,4-dihydroxyphenyl)-N,4-dihydroxy-N-methyl-2-oxo-4-phenylbutanamide
CID 174689037
4-[1-(4-hydroxy-3-methylphenyl)-1-phenylethyl]benzene-1,3-diol
CID 139838653
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid?
The IUPAC name of 4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid (CID 146586928) is 4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid.
What is the SMILES notation for 4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid?
The canonical SMILES for 4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid is CC(O)(CCC(=O)O)c1ccc(O)cc1O.
What is the InChIKey of 4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid?
The InChIKey is HSOUWLVGABPQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-11(16,5-4-10(14)15)8-3-2-7(12)6-9(8)13/h2-3,6,12-13,16H,4-5H2,1H3,(H,14,15).
What are the key properties of 4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid?
4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid is sourced from PubChem (CID 146586928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).