propyl 2,5-diethylbenzoate

C14H20O2 — CID 22448167

IUPACpropyl 2,5-diethylbenzoate
SMILESCCCOC(=O)c1cc(CC)ccc1CC
InChIInChI=1S/C14H20O2/c1-4-9-16-14(15)13-10-11(5-2)7-8-12(13)6-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyCYOONFCTZLSJAW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.38
Rot. Bonds5

About propyl 2,5-diethylbenzoate

propyl 2,5-diethylbenzoate (PubChem CID 22448167) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is propyl 2,5-diethylbenzoate.

Molecular Properties

Compound Namepropyl 2,5-diethylbenzoate
PubChem CID22448167
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namepropyl 2,5-diethylbenzoate
SMILESCCCOC(=O)c1cc(CC)ccc1CC
InChIInChI=1S/C14H20O2/c1-4-9-16-14(15)13-10-11(5-2)7-8-12(13)6-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyCYOONFCTZLSJAW-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 2-carbamoyl-5-ethylbenzoate
CID 57025682
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529
2,5-diethylbenzoyl iodide
CID 139959906
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
ethyl 2,5-dibutylbenzoate
CID 166059942
butyl 5-amino-2-[(4-aminophenyl)methyl]benzoate
CID 66717562
propyl 2-amino-5-(2-methylsulfonylethyl)benzoate
CID 115326295
propyl 2-methoxy-4-propylbenzoate
CID 175548133
1-(2,5-diethylphenyl)decan-1-one
CID 65448938
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
bis(8-methylnonyl) 4-ethylbenzene-1,2-dicarboxylate
CID 23502274
propyl 2,5-dichlorobenzoate
CID 43389536

Frequently Asked Questions

What is the IUPAC name of propyl 2,5-diethylbenzoate?
The IUPAC name of propyl 2,5-diethylbenzoate (CID 22448167) is propyl 2,5-diethylbenzoate.
What is the SMILES notation for propyl 2,5-diethylbenzoate?
The canonical SMILES for propyl 2,5-diethylbenzoate is CCCOC(=O)c1cc(CC)ccc1CC.
What is the InChIKey of propyl 2,5-diethylbenzoate?
The InChIKey is CYOONFCTZLSJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-9-16-14(15)13-10-11(5-2)7-8-12(13)6-3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of propyl 2,5-diethylbenzoate?
propyl 2,5-diethylbenzoate has a molecular weight of 220.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,5-diethylbenzoate is sourced from PubChem (CID 22448167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).