5-(4-formylphenyl)-5-hydroxypentanoic acid

C12H14O4 — CID 87602179

IUPAC5-(4-formylphenyl)-5-hydroxypentanoic acid
SMILESO=Cc1ccc(C(O)CCCC(=O)O)cc1
InChIInChI=1S/C12H14O4/c13-8-9-4-6-10(7-5-9)11(14)2-1-3-12(15)16/h4-8,11,14H,1-3H2,(H,15,16)
InChIKeyJAMKJMODOCWQOX-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.79
Rot. Bonds6

About 5-(4-formylphenyl)-5-hydroxypentanoic acid

5-(4-formylphenyl)-5-hydroxypentanoic acid (PubChem CID 87602179) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(4-formylphenyl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(4-formylphenyl)-5-hydroxypentanoic acid
PubChem CID87602179
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name5-(4-formylphenyl)-5-hydroxypentanoic acid
SMILESO=Cc1ccc(C(O)CCCC(=O)O)cc1
InChIInChI=1S/C12H14O4/c13-8-9-4-6-10(7-5-9)11(14)2-1-3-12(15)16/h4-8,11,14H,1-3H2,(H,15,16)
InChIKeyJAMKJMODOCWQOX-UHFFFAOYSA-N
XLogP1.79
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-hydroxyhexyl)benzaldehyde
CID 22246899
4-(3-bromo-1-hydroxypropyl)benzaldehyde
CID 141472310
4-(4-formylphenyl)pentanoic acid
CID 23962618
5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid
CID 28931398
4-(1-hydroxybut-3-enyl)benzaldehyde
CID 86200229
7-(4-formylphenoxy)heptanoic acid
CID 169448959
4-[1-[4-[(1R)-1,2-dihydroxyethyl]phenyl]-2-oxopropyl]benzaldehyde
CID 174850169
hexanoic acid;4-(2-methylpropyl)benzaldehyde
CID 175010098
4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylphenyl)-5-hydroxypentanoic acid?
The IUPAC name of 5-(4-formylphenyl)-5-hydroxypentanoic acid (CID 87602179) is 5-(4-formylphenyl)-5-hydroxypentanoic acid.
What is the SMILES notation for 5-(4-formylphenyl)-5-hydroxypentanoic acid?
The canonical SMILES for 5-(4-formylphenyl)-5-hydroxypentanoic acid is O=Cc1ccc(C(O)CCCC(=O)O)cc1.
What is the InChIKey of 5-(4-formylphenyl)-5-hydroxypentanoic acid?
The InChIKey is JAMKJMODOCWQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-8-9-4-6-10(7-5-9)11(14)2-1-3-12(15)16/h4-8,11,14H,1-3H2,(H,15,16).
What are the key properties of 5-(4-formylphenyl)-5-hydroxypentanoic acid?
5-(4-formylphenyl)-5-hydroxypentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylphenyl)-5-hydroxypentanoic acid is sourced from PubChem (CID 87602179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).