2-phenylethyl 3-cyclopentylpropanoate

C16H22O2 — CID 568730

IUPAC2-phenylethyl 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OCCc1ccccc1
InChIInChI=1S/C16H22O2/c17-16(11-10-14-8-4-5-9-14)18-13-12-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKeyWBXCOQLSSKIHHU-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.74
Rot. Bonds6

About 2-phenylethyl 3-cyclopentylpropanoate

2-phenylethyl 3-cyclopentylpropanoate (PubChem CID 568730) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-phenylethyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Name2-phenylethyl 3-cyclopentylpropanoate
PubChem CID568730
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-phenylethyl 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OCCc1ccccc1
InChIInChI=1S/C16H22O2/c17-16(11-10-14-8-4-5-9-14)18-13-12-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKeyWBXCOQLSSKIHHU-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylethyl propionate
CID 31225
Allyl phenylacetate
CID 15717
Methyl phenylacetate
CID 7559
2-Phenylethyl Acetate
CID 7654
Phenethyl phenylacetate
CID 7601
Phenethyl butyrate
CID 7658
Phenethyl hexanoate
CID 61384
Phenylethyl 2-methylbutyrate
CID 520148
Ethyl phenylacetate
CID 7590
Isopropyl Phenylacetate
CID 62553
Iophendylate
CID 7458
Isoamyl phenylacetate
CID 7600

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 3-cyclopentylpropanoate?
The IUPAC name of 2-phenylethyl 3-cyclopentylpropanoate (CID 568730) is 2-phenylethyl 3-cyclopentylpropanoate.
What is the SMILES notation for 2-phenylethyl 3-cyclopentylpropanoate?
The canonical SMILES for 2-phenylethyl 3-cyclopentylpropanoate is O=C(CCC1CCCC1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 3-cyclopentylpropanoate?
The InChIKey is WBXCOQLSSKIHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-16(11-10-14-8-4-5-9-14)18-13-12-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2.
What are the key properties of 2-phenylethyl 3-cyclopentylpropanoate?
2-phenylethyl 3-cyclopentylpropanoate has a molecular weight of 246.35 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 3-cyclopentylpropanoate is sourced from PubChem (CID 568730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).