2-hydroxypentyl 2-phenylpropanoate

C14H20O3 — CID 168936674

IUPAC2-hydroxypentyl 2-phenylpropanoate
SMILESCCCC(O)COC(=O)C(C)c1ccccc1
InChIInChI=1S/C14H20O3/c1-3-7-13(15)10-17-14(16)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,3,7,10H2,1-2H3
InChIKeyYLYQEKCEJAHLOF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.49
Rot. Bonds6

About 2-hydroxypentyl 2-phenylpropanoate

2-hydroxypentyl 2-phenylpropanoate (PubChem CID 168936674) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-hydroxypentyl 2-phenylpropanoate.

Molecular Properties

Compound Name2-hydroxypentyl 2-phenylpropanoate
PubChem CID168936674
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-hydroxypentyl 2-phenylpropanoate
SMILESCCCC(O)COC(=O)C(C)c1ccccc1
InChIInChI=1S/C14H20O3/c1-3-7-13(15)10-17-14(16)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,3,7,10H2,1-2H3
InChIKeyYLYQEKCEJAHLOF-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypentyl 2-phenylpropanoate?
The IUPAC name of 2-hydroxypentyl 2-phenylpropanoate (CID 168936674) is 2-hydroxypentyl 2-phenylpropanoate.
What is the SMILES notation for 2-hydroxypentyl 2-phenylpropanoate?
The canonical SMILES for 2-hydroxypentyl 2-phenylpropanoate is CCCC(O)COC(=O)C(C)c1ccccc1.
What is the InChIKey of 2-hydroxypentyl 2-phenylpropanoate?
The InChIKey is YLYQEKCEJAHLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-7-13(15)10-17-14(16)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,3,7,10H2,1-2H3.
What are the key properties of 2-hydroxypentyl 2-phenylpropanoate?
2-hydroxypentyl 2-phenylpropanoate has a molecular weight of 236.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypentyl 2-phenylpropanoate is sourced from PubChem (CID 168936674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).