4-benzoyloxypentanoic acid;phenol

C18H20O5 — CID 175108201

IUPAC4-benzoyloxypentanoic acid;phenol
SMILESCC(CCC(=O)O)OC(=O)c1ccccc1.Oc1ccccc1
InChIInChI=1S/C12H14O4.C6H6O/c1-9(7-8-11(13)14)16-12(15)10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2-6,9H,7-8H2,1H3,(H,13,14);1-5,7H
InChIKeyOJRZWNPZLHVRIQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.49
Rot. Bonds5

About 4-benzoyloxypentanoic acid;phenol

4-benzoyloxypentanoic acid;phenol (PubChem CID 175108201) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-benzoyloxypentanoic acid;phenol.

Molecular Properties

Compound Name4-benzoyloxypentanoic acid;phenol
PubChem CID175108201
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name4-benzoyloxypentanoic acid;phenol
SMILESCC(CCC(=O)O)OC(=O)c1ccccc1.Oc1ccccc1
InChIInChI=1S/C12H14O4.C6H6O/c1-9(7-8-11(13)14)16-12(15)10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2-6,9H,7-8H2,1H3,(H,13,14);1-5,7H
InChIKeyOJRZWNPZLHVRIQ-UHFFFAOYSA-N
XLogP3.49
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-pentan-2-yl] benzoate
CID 101019298
(5-hydroxy-5-methylhexan-2-yl) benzoate
CID 154709483
5-benzoyloxyheptan-2-yl benzoate
CID 21302116
1-benzoyloxyethyl 4-hydroxybenzoate
CID 22257585
7-[4-(4-hydroxyphenyl)phenyl]heptan-2-yl benzoate
CID 139657190
6-(2-benzoyloxypropoxy)-6-oxohexanoic acid
CID 118209037
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
butan-2-yl 4-hydroxybenzoate;octadecanoic acid
CID 160512702
1-benzoylperoxypropan-2-yl benzoate
CID 175513779
1-phenoxypropan-2-yl benzoate
CID 59854364
1-(2-methylpropanoyloxy)propan-2-yl benzoate
CID 142753435
4,4-dimethoxybutan-2-yl benzoate
CID 10657559

Frequently Asked Questions

What is the IUPAC name of 4-benzoyloxypentanoic acid;phenol?
The IUPAC name of 4-benzoyloxypentanoic acid;phenol (CID 175108201) is 4-benzoyloxypentanoic acid;phenol.
What is the SMILES notation for 4-benzoyloxypentanoic acid;phenol?
The canonical SMILES for 4-benzoyloxypentanoic acid;phenol is CC(CCC(=O)O)OC(=O)c1ccccc1.Oc1ccccc1.
What is the InChIKey of 4-benzoyloxypentanoic acid;phenol?
The InChIKey is OJRZWNPZLHVRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4.C6H6O/c1-9(7-8-11(13)14)16-12(15)10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2-6,9H,7-8H2,1H3,(H,13,14);1-5,7H.
What are the key properties of 4-benzoyloxypentanoic acid;phenol?
4-benzoyloxypentanoic acid;phenol has a molecular weight of 316.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyloxypentanoic acid;phenol is sourced from PubChem (CID 175108201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).