5-hydroxy-2-phenylmethoxypentanoic acid

C12H16O4 — CID 141073018

IUPAC5-hydroxy-2-phenylmethoxypentanoic acid
SMILESO=C(O)C(CCCO)OCc1ccccc1
InChIInChI=1S/C12H16O4/c13-8-4-7-11(12(14)15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)
InChIKeyPMKIYRRKQQCNTE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.43
Rot. Bonds7

About 5-hydroxy-2-phenylmethoxypentanoic acid

5-hydroxy-2-phenylmethoxypentanoic acid (PubChem CID 141073018) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-hydroxy-2-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-phenylmethoxypentanoic acid
PubChem CID141073018
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name5-hydroxy-2-phenylmethoxypentanoic acid
SMILESO=C(O)C(CCCO)OCc1ccccc1
InChIInChI=1S/C12H16O4/c13-8-4-7-11(12(14)15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)
InChIKeyPMKIYRRKQQCNTE-UHFFFAOYSA-N
XLogP1.43
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67292704
2-phenylmethoxybutanoic acid
CID 11816388
5-hydroxy-2-phenylmethoxyoctadecanoic acid
CID 101300015
4-phenylmethoxyhex-5-en-1-ol
CID 25098808
(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoic acid
CID 121366415
13-phenyl-4-phenylmethoxytridecan-1-ol
CID 15735700
5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 14075005
18-hydroxy-11-phenylmethoxyoctadecanoic acid
CID 101300347
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
benzyl (3R)-6-hydroxy-3-methylhexanoate
CID 58080848
4-phenylmethoxynonadecan-1-ol
CID 15735676

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenylmethoxypentanoic acid?
The IUPAC name of 5-hydroxy-2-phenylmethoxypentanoic acid (CID 141073018) is 5-hydroxy-2-phenylmethoxypentanoic acid.
What is the SMILES notation for 5-hydroxy-2-phenylmethoxypentanoic acid?
The canonical SMILES for 5-hydroxy-2-phenylmethoxypentanoic acid is O=C(O)C(CCCO)OCc1ccccc1.
What is the InChIKey of 5-hydroxy-2-phenylmethoxypentanoic acid?
The InChIKey is PMKIYRRKQQCNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c13-8-4-7-11(12(14)15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2,(H,14,15).
What are the key properties of 5-hydroxy-2-phenylmethoxypentanoic acid?
5-hydroxy-2-phenylmethoxypentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenylmethoxypentanoic acid is sourced from PubChem (CID 141073018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).