propan-2-yl 4-phenylhexanoate

C15H22O2 — CID 144552078

IUPACpropan-2-yl 4-phenylhexanoate
SMILESCCC(CCC(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-4-13(14-8-6-5-7-9-14)10-11-15(16)17-12(2)3/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyHOMASTGYXFJBKY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.91
Rot. Bonds6

About propan-2-yl 4-phenylhexanoate

propan-2-yl 4-phenylhexanoate (PubChem CID 144552078) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is propan-2-yl 4-phenylhexanoate.

Molecular Properties

Compound Namepropan-2-yl 4-phenylhexanoate
PubChem CID144552078
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namepropan-2-yl 4-phenylhexanoate
SMILESCCC(CCC(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-4-13(14-8-6-5-7-9-14)10-11-15(16)17-12(2)3/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyHOMASTGYXFJBKY-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-phenylhexanoate?
The IUPAC name of propan-2-yl 4-phenylhexanoate (CID 144552078) is propan-2-yl 4-phenylhexanoate.
What is the SMILES notation for propan-2-yl 4-phenylhexanoate?
The canonical SMILES for propan-2-yl 4-phenylhexanoate is CCC(CCC(=O)OC(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl 4-phenylhexanoate?
The InChIKey is HOMASTGYXFJBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-13(14-8-6-5-7-9-14)10-11-15(16)17-12(2)3/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of propan-2-yl 4-phenylhexanoate?
propan-2-yl 4-phenylhexanoate has a molecular weight of 234.34 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-phenylhexanoate is sourced from PubChem (CID 144552078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).