[(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate

C13H15ClO3 — CID 10777371

IUPAC[(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate
SMILESC=CC[C@](O)(COC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO3/c1-3-8-13(16,9-17-10(2)15)11-4-6-12(14)7-5-11/h3-7,16H,1,8-9H2,2H3/t13-/m0/s1
InChIKeyHJBFSFRGHHZJOO-ZDUSSCGKSA-N
MW254.71 g/mol
LogP2.67
Rot. Bonds5

About [(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate

[(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate (PubChem CID 10777371) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is [(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate.

Molecular Properties

Compound Name[(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate
PubChem CID10777371
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name[(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate
SMILESC=CC[C@](O)(COC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO3/c1-3-8-13(16,9-17-10(2)15)11-4-6-12(14)7-5-11/h3-7,16H,1,8-9H2,2H3/t13-/m0/s1
InChIKeyHJBFSFRGHHZJOO-ZDUSSCGKSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate?
The IUPAC name of [(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate (CID 10777371) is [(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate.
What is the SMILES notation for [(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate?
The canonical SMILES for [(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate is C=CC[C@](O)(COC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate?
The InChIKey is HJBFSFRGHHZJOO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-3-8-13(16,9-17-10(2)15)11-4-6-12(14)7-5-11/h3-7,16H,1,8-9H2,2H3/t13-/m0/s1.
What are the key properties of [(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate?
[(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate has a molecular weight of 254.71 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate is sourced from PubChem (CID 10777371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).