2-phenylpentyl pentanoate

C16H24O2 — CID 101292559

IUPAC2-phenylpentyl pentanoate
SMILESCCCCC(=O)OCC(CCC)c1ccccc1
InChIInChI=1S/C16H24O2/c1-3-5-12-16(17)18-13-15(9-4-2)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3
InChIKeyFCMRGFMGDMAGNE-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.30
Rot. Bonds8

About 2-phenylpentyl pentanoate

2-phenylpentyl pentanoate (PubChem CID 101292559) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-phenylpentyl pentanoate.

Molecular Properties

Compound Name2-phenylpentyl pentanoate
PubChem CID101292559
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-phenylpentyl pentanoate
SMILESCCCCC(=O)OCC(CCC)c1ccccc1
InChIInChI=1S/C16H24O2/c1-3-5-12-16(17)18-13-15(9-4-2)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3
InChIKeyFCMRGFMGDMAGNE-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylbutyl pentanoate
CID 101292556
2-phenylheptyl hydrogen carbonate
CID 67179630
butyl 5-phenylheptanoate
CID 175289062
3-phenylbutyl pentanoate
CID 101292557
2-(2-phenylpentoxycarbonyl)prop-2-enoic acid
CID 141491590
1-O-butyl 4-O-(5-methoxy-3-phenylpentyl) butanedioate
CID 91718798
1-O-heptyl 5-O-(5-methoxy-3-phenylpentyl) pentanedioate
CID 91718732
1-O-(5-methoxy-3-phenylpentyl) 5-O-(2-methylpropyl) pentanedioate
CID 91718809
3-octadec-6-ynoyloxy-2-phenylpropanoic acid
CID 168994956
5-phenylhexyl hexanoate
CID 101292580
6-(2,2-diphenylethoxy)-6-oxohexanoic acid
CID 141096193
[(1R)-2-chloro-1-phenylethyl] pentanoate
CID 71352661

Frequently Asked Questions

What is the IUPAC name of 2-phenylpentyl pentanoate?
The IUPAC name of 2-phenylpentyl pentanoate (CID 101292559) is 2-phenylpentyl pentanoate.
What is the SMILES notation for 2-phenylpentyl pentanoate?
The canonical SMILES for 2-phenylpentyl pentanoate is CCCCC(=O)OCC(CCC)c1ccccc1.
What is the InChIKey of 2-phenylpentyl pentanoate?
The InChIKey is FCMRGFMGDMAGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-5-12-16(17)18-13-15(9-4-2)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3.
What are the key properties of 2-phenylpentyl pentanoate?
2-phenylpentyl pentanoate has a molecular weight of 248.37 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpentyl pentanoate is sourced from PubChem (CID 101292559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).