5-hydroxy-6-oxo-6-phenylhexanoic acid

C12H14O4 — CID 151820030

IUPAC5-hydroxy-6-oxo-6-phenylhexanoic acid
SMILESO=C(O)CCCC(O)C(=O)c1ccccc1
InChIInChI=1S/C12H14O4/c13-10(7-4-8-11(14)15)12(16)9-5-2-1-3-6-9/h1-3,5-6,10,13H,4,7-8H2,(H,14,15)
InChIKeySCKYJACOOMKGAF-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.49
Rot. Bonds6

About 5-hydroxy-6-oxo-6-phenylhexanoic acid

5-hydroxy-6-oxo-6-phenylhexanoic acid (PubChem CID 151820030) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-6-phenylhexanoic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-6-phenylhexanoic acid
PubChem CID151820030
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name5-hydroxy-6-oxo-6-phenylhexanoic acid
SMILESO=C(O)CCCC(O)C(=O)c1ccccc1
InChIInChI=1S/C12H14O4/c13-10(7-4-8-11(14)15)12(16)9-5-2-1-3-6-9/h1-3,5-6,10,13H,4,7-8H2,(H,14,15)
InChIKeySCKYJACOOMKGAF-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1,5-diphenylpentane-1,5-dione
CID 14316875
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
(2R)-2-hydroxy-1-phenylhexane-1,5-dione
CID 125485700
4-amino-2-hydroxy-1-phenylbutan-1-one
CID 57182499
benzoic acid;bis(5-methylhexanoic acid)
CID 68983380
(4S)-4-amino-5-oxo-5-phenylpentanoic acid
CID 95949821
5-phenylnonanedioic acid
CID 54103206
2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid
CID 160588894
5-bromo-5-phenylpentanoic acid
CID 174858341
4-cyano-5-oxo-5-phenylpentanoic acid
CID 67944046
benzoic acid;16-methylheptadecanoic acid
CID 70376477
2,5-dibromo-1,6-diphenylhexane-1,6-dione
CID 2762432

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-6-phenylhexanoic acid?
The IUPAC name of 5-hydroxy-6-oxo-6-phenylhexanoic acid (CID 151820030) is 5-hydroxy-6-oxo-6-phenylhexanoic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-6-phenylhexanoic acid?
The canonical SMILES for 5-hydroxy-6-oxo-6-phenylhexanoic acid is O=C(O)CCCC(O)C(=O)c1ccccc1.
What is the InChIKey of 5-hydroxy-6-oxo-6-phenylhexanoic acid?
The InChIKey is SCKYJACOOMKGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-10(7-4-8-11(14)15)12(16)9-5-2-1-3-6-9/h1-3,5-6,10,13H,4,7-8H2,(H,14,15).
What are the key properties of 5-hydroxy-6-oxo-6-phenylhexanoic acid?
5-hydroxy-6-oxo-6-phenylhexanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-6-phenylhexanoic acid is sourced from PubChem (CID 151820030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).