5-(4-hydroxyphenyl)-5-oxopentanoic acid

C11H12O4 — CID 58253057

IUPAC5-(4-hydroxyphenyl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H12O4/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,12H,1-3H2,(H,14,15)
InChIKeyAGQBCNFDMDWFML-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.83
Rot. Bonds5

About 5-(4-hydroxyphenyl)-5-oxopentanoic acid

5-(4-hydroxyphenyl)-5-oxopentanoic acid (PubChem CID 58253057) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-5-oxopentanoic acid
PubChem CID58253057
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name5-(4-hydroxyphenyl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H12O4/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,12H,1-3H2,(H,14,15)
InChIKeyAGQBCNFDMDWFML-UHFFFAOYSA-N
XLogP1.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pentanedioic acid;phenol
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1-(4-hydroxyphenyl)nonan-1-one
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5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264606
4-[5-(4-hydroxyphenyl)-5-oxopentyl]benzoic acid
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5-(4-ethylsulfonylphenyl)-5-oxopentanoic acid
CID 82502263
1-(2-amino-3-hydroxyphenyl)-5-(4-hydroxyphenyl)pentane-1,5-dione
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4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368
5-oxo-5-(4-propylsulfonylphenyl)pentanoic acid
CID 82550629
6-[4-(4-ethylphenyl)phenyl]-6-oxohexanoic acid
CID 23503105
ethane-1,2-diol;6-(4-hydroxyphenyl)-6-oxohexanal
CID 175447962
6-(4-ethoxycarbonylphenyl)-6-oxohexanoic acid
CID 131863189
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-hydroxyphenyl)-5-oxopentanoic acid (CID 58253057) is 5-(4-hydroxyphenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-hydroxyphenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-hydroxyphenyl)-5-oxopentanoic acid is O=C(O)CCCC(=O)c1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-5-oxopentanoic acid?
The InChIKey is AGQBCNFDMDWFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,12H,1-3H2,(H,14,15).
What are the key properties of 5-(4-hydroxyphenyl)-5-oxopentanoic acid?
5-(4-hydroxyphenyl)-5-oxopentanoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-5-oxopentanoic acid is sourced from PubChem (CID 58253057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).