2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid

C14H20O4 — CID 83041368

IUPAC2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid
SMILESCCCC(Oc1ccccc1C(O)CC)C(=O)O
InChIInChI=1S/C14H20O4/c1-3-7-13(14(16)17)18-12-9-6-5-8-10(12)11(15)4-2/h5-6,8-9,11,13,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyXZPHBXOBJUZMHN-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.76
Rot. Bonds7

About 2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid

2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid (PubChem CID 83041368) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid
PubChem CID83041368
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid
SMILESCCCC(Oc1ccccc1C(O)CC)C(=O)O
InChIInChI=1S/C14H20O4/c1-3-7-13(14(16)17)18-12-9-6-5-8-10(12)11(15)4-2/h5-6,8-9,11,13,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyXZPHBXOBJUZMHN-UHFFFAOYSA-N
XLogP2.76
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenoxy)pentanoic acid
CID 83038631
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
2-[2-[(1R)-1-aminoethyl]phenoxy]butanoic acid
CID 78996826
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83041479
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
CID 83041581
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
2-(2-bromophenoxy)butanoic acid
CID 18786119
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78930736
2-[2-[2-[2-(1-carboxypentoxy)phenoxy]ethoxy]phenoxy]hexanoic acid
CID 15369029
2-(9H-carbazol-4-yloxy)pentanoic acid
CID 59571754
2-[2-(aminomethyl)-3-chlorophenoxy]pentanoic acid
CID 83036006

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid?
The IUPAC name of 2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid (CID 83041368) is 2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid.
What is the SMILES notation for 2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid?
The canonical SMILES for 2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid is CCCC(Oc1ccccc1C(O)CC)C(=O)O.
What is the InChIKey of 2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid?
The InChIKey is XZPHBXOBJUZMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-3-7-13(14(16)17)18-12-9-6-5-8-10(12)11(15)4-2/h5-6,8-9,11,13,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid?
2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid is sourced from PubChem (CID 83041368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).