2-(2-ethoxypropoxy)propyl benzoate

C15H22O4 — CID 155435285

IUPAC2-(2-ethoxypropoxy)propyl benzoate
SMILESCCOC(C)COC(C)COC(=O)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-17-12(2)10-18-13(3)11-19-15(16)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyNWHUCKJITABRBM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.67
Rot. Bonds8

About 2-(2-ethoxypropoxy)propyl benzoate

2-(2-ethoxypropoxy)propyl benzoate (PubChem CID 155435285) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-ethoxypropoxy)propyl benzoate.

Molecular Properties

Compound Name2-(2-ethoxypropoxy)propyl benzoate
PubChem CID155435285
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-(2-ethoxypropoxy)propyl benzoate
SMILESCCOC(C)COC(C)COC(=O)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-17-12(2)10-18-13(3)11-19-15(16)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyNWHUCKJITABRBM-UHFFFAOYSA-N
XLogP2.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
CID 22461914
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzoate
CID 101417718
2-[2-[(E)-2-ethenylbut-2-enoyl]oxypropoxy]propyl benzoate
CID 89362180
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
(3-fluoro-2-methylpentyl) benzoate
CID 90717890
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
CID 23036606
(2-ethoxy-2-phenylmethoxyethyl) benzoate
CID 67036825
2-(methylideneamino)propyl benzoate
CID 175865411
[(2S)-2-(ethylamino)propyl] benzoate
CID 90069288
CID 158970570
CID 158970570
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropoxy)propyl benzoate?
The IUPAC name of 2-(2-ethoxypropoxy)propyl benzoate (CID 155435285) is 2-(2-ethoxypropoxy)propyl benzoate.
What is the SMILES notation for 2-(2-ethoxypropoxy)propyl benzoate?
The canonical SMILES for 2-(2-ethoxypropoxy)propyl benzoate is CCOC(C)COC(C)COC(=O)c1ccccc1.
What is the InChIKey of 2-(2-ethoxypropoxy)propyl benzoate?
The InChIKey is NWHUCKJITABRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-17-12(2)10-18-13(3)11-19-15(16)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of 2-(2-ethoxypropoxy)propyl benzoate?
2-(2-ethoxypropoxy)propyl benzoate has a molecular weight of 266.34 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropoxy)propyl benzoate is sourced from PubChem (CID 155435285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).