4-(benzoyloxymethyl)-5-hydroxyhexanoic acid

C14H18O5 — CID 171380366

IUPAC4-(benzoyloxymethyl)-5-hydroxyhexanoic acid
SMILESCC(O)C(CCC(=O)O)COC(=O)c1ccccc1
InChIInChI=1S/C14H18O5/c1-10(15)12(7-8-13(16)17)9-19-14(18)11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3,(H,16,17)
InChIKeyFAMIQFRKOBUWSI-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.71
Rot. Bonds7

About 4-(benzoyloxymethyl)-5-hydroxyhexanoic acid

4-(benzoyloxymethyl)-5-hydroxyhexanoic acid (PubChem CID 171380366) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-(benzoyloxymethyl)-5-hydroxyhexanoic acid.

Molecular Properties

Compound Name4-(benzoyloxymethyl)-5-hydroxyhexanoic acid
PubChem CID171380366
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name4-(benzoyloxymethyl)-5-hydroxyhexanoic acid
SMILESCC(O)C(CCC(=O)O)COC(=O)c1ccccc1
InChIInChI=1S/C14H18O5/c1-10(15)12(7-8-13(16)17)9-19-14(18)11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3,(H,16,17)
InChIKeyFAMIQFRKOBUWSI-UHFFFAOYSA-N
XLogP1.71
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-phenylpropyl] benzoate
CID 101021839
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
[4-(benzoyloxymethyl)-2,3-diethylhexyl] benzoate
CID 141064314
(2-hydroxy-2-propan-2-yloxyethyl) benzoate
CID 162371835
2-(methylideneamino)propyl benzoate
CID 175865411
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
[3-(benzoyloxymethyl)-2-benzyl-4-phenylbutyl] benzoate
CID 141068150
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
[(E)-2-hydroxypent-3-enyl] benzoate
CID 101488122
[(2S,3R,4S,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 24838313
[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 14018806
1-benzoyloxypropan-2-yl(trimethyl)azanium
CID 24833435

Frequently Asked Questions

What is the IUPAC name of 4-(benzoyloxymethyl)-5-hydroxyhexanoic acid?
The IUPAC name of 4-(benzoyloxymethyl)-5-hydroxyhexanoic acid (CID 171380366) is 4-(benzoyloxymethyl)-5-hydroxyhexanoic acid.
What is the SMILES notation for 4-(benzoyloxymethyl)-5-hydroxyhexanoic acid?
The canonical SMILES for 4-(benzoyloxymethyl)-5-hydroxyhexanoic acid is CC(O)C(CCC(=O)O)COC(=O)c1ccccc1.
What is the InChIKey of 4-(benzoyloxymethyl)-5-hydroxyhexanoic acid?
The InChIKey is FAMIQFRKOBUWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-10(15)12(7-8-13(16)17)9-19-14(18)11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3,(H,16,17).
What are the key properties of 4-(benzoyloxymethyl)-5-hydroxyhexanoic acid?
4-(benzoyloxymethyl)-5-hydroxyhexanoic acid has a molecular weight of 266.29 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzoyloxymethyl)-5-hydroxyhexanoic acid is sourced from PubChem (CID 171380366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).