[(2R)-2-hydroxypent-4-enyl] benzoate

C12H14O3 — CID 11106524

IUPAC[(2R)-2-hydroxypent-4-enyl] benzoate
SMILESC=CC[C@@H](O)COC(=O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-2-6-11(13)9-15-12(14)10-7-4-3-5-8-10/h2-5,7-8,11,13H,1,6,9H2/t11-/m1/s1
InChIKeyPGNFNWRJOKQEPN-LLVKDONJSA-N
MW206.24 g/mol
LogP1.78
Rot. Bonds5

About [(2R)-2-hydroxypent-4-enyl] benzoate

[(2R)-2-hydroxypent-4-enyl] benzoate (PubChem CID 11106524) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(2R)-2-hydroxypent-4-enyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-hydroxypent-4-enyl] benzoate
PubChem CID11106524
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[(2R)-2-hydroxypent-4-enyl] benzoate
SMILESC=CC[C@@H](O)COC(=O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-2-6-11(13)9-15-12(14)10-7-4-3-5-8-10/h2-5,7-8,11,13H,1,6,9H2/t11-/m1/s1
InChIKeyPGNFNWRJOKQEPN-LLVKDONJSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2R)-2-hydroxypent-4-enyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-3-oxopent-4-enyl) benzoate
CID 174976400
[2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate
CID 155680336
[(2S)-3-bromo-2-hydroxypropyl] benzoate
CID 102158882
[(2R)-3-bromo-2-hydroxypropyl] benzoate
CID 102180802
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
[(2R)-2-(diphenylphosphorylmethyl)pent-4-enyl] benzoate
CID 25267228
[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate
CID 121004547
[(2R,3R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxyhex-5-enyl] benzoate
CID 22294512
[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 14018806
[(2S,3R,4S,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 24838313
2-methoxycarbonyloxybut-3-enyl benzoate
CID 102200830
2,3-dihydroxypropyl benzoate dibenzoate
CID 20976561

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxypent-4-enyl] benzoate?
The IUPAC name of [(2R)-2-hydroxypent-4-enyl] benzoate (CID 11106524) is [(2R)-2-hydroxypent-4-enyl] benzoate.
What is the SMILES notation for [(2R)-2-hydroxypent-4-enyl] benzoate?
The canonical SMILES for [(2R)-2-hydroxypent-4-enyl] benzoate is C=CC[C@@H](O)COC(=O)c1ccccc1.
What is the InChIKey of [(2R)-2-hydroxypent-4-enyl] benzoate?
The InChIKey is PGNFNWRJOKQEPN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-6-11(13)9-15-12(14)10-7-4-3-5-8-10/h2-5,7-8,11,13H,1,6,9H2/t11-/m1/s1.
What are the key properties of [(2R)-2-hydroxypent-4-enyl] benzoate?
[(2R)-2-hydroxypent-4-enyl] benzoate has a molecular weight of 206.24 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxypent-4-enyl] benzoate is sourced from PubChem (CID 11106524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).