phenyl 2-hydroxypentanoate

C11H14O3 — CID 141237122

IUPACphenyl 2-hydroxypentanoate
SMILESCCCC(O)C(=O)Oc1ccccc1
InChIInChI=1S/C11H14O3/c1-2-6-10(12)11(13)14-9-7-4-3-5-8-9/h3-5,7-8,10,12H,2,6H2,1H3
InChIKeyFZGVSNZANPZLKA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.75
Rot. Bonds4

About phenyl 2-hydroxypentanoate

phenyl 2-hydroxypentanoate (PubChem CID 141237122) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is phenyl 2-hydroxypentanoate.

Molecular Properties

Compound Namephenyl 2-hydroxypentanoate
PubChem CID141237122
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namephenyl 2-hydroxypentanoate
SMILESCCCC(O)C(=O)Oc1ccccc1
InChIInChI=1S/C11H14O3/c1-2-6-10(12)11(13)14-9-7-4-3-5-8-9/h3-5,7-8,10,12H,2,6H2,1H3
InChIKeyFZGVSNZANPZLKA-UHFFFAOYSA-N
XLogP1.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-phenoxycarbonylpentanoic acid
CID 54073131
phenyl 4-amino-2-hydroxybutanoate
CID 54754307
4-O-(3-hydroxy-4-oxo-4-phenoxybutyl) 1-O-methyl but-2-enedioate
CID 69125293
phenyl (3S)-3-hydroxyhexanoate
CID 15933496
phenyl 2-ethyl-3-hydroxyheptanoate
CID 10106163
phenyl 2-ethylhexanoate
CID 11106897
butane;phenyl carbamate
CID 145076324
phenyl 2-tert-butylhexanoate
CID 67352246
phenyl 2-ethoxyhexanoate
CID 174752076
phenyl 2-ethyloctanoate
CID 54211656
phenyl 2-hydroxy-3-methylbutanoate
CID 21199267
phenyl 2-(aminomethyl)butanoate
CID 174556274

Frequently Asked Questions

What is the IUPAC name of phenyl 2-hydroxypentanoate?
The IUPAC name of phenyl 2-hydroxypentanoate (CID 141237122) is phenyl 2-hydroxypentanoate.
What is the SMILES notation for phenyl 2-hydroxypentanoate?
The canonical SMILES for phenyl 2-hydroxypentanoate is CCCC(O)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-hydroxypentanoate?
The InChIKey is FZGVSNZANPZLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-6-10(12)11(13)14-9-7-4-3-5-8-9/h3-5,7-8,10,12H,2,6H2,1H3.
What are the key properties of phenyl 2-hydroxypentanoate?
phenyl 2-hydroxypentanoate has a molecular weight of 194.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-hydroxypentanoate is sourced from PubChem (CID 141237122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).