dipropyl 2-phenoxybutanedioate

C16H22O5 — CID 139989420

IUPACdipropyl 2-phenoxybutanedioate
SMILESCCCOC(=O)CC(Oc1ccccc1)C(=O)OCCC
InChIInChI=1S/C16H22O5/c1-3-10-19-15(17)12-14(16(18)20-11-4-2)21-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyOWPKFONYGKQGIW-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.73
Rot. Bonds9

About dipropyl 2-phenoxybutanedioate

dipropyl 2-phenoxybutanedioate (PubChem CID 139989420) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is dipropyl 2-phenoxybutanedioate.

Molecular Properties

Compound Namedipropyl 2-phenoxybutanedioate
PubChem CID139989420
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Namedipropyl 2-phenoxybutanedioate
SMILESCCCOC(=O)CC(Oc1ccccc1)C(=O)OCCC
InChIInChI=1S/C16H22O5/c1-3-10-19-15(17)12-14(16(18)20-11-4-2)21-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyOWPKFONYGKQGIW-UHFFFAOYSA-N
XLogP2.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipropyl 2-phenoxybutanedioate?
The IUPAC name of dipropyl 2-phenoxybutanedioate (CID 139989420) is dipropyl 2-phenoxybutanedioate.
What is the SMILES notation for dipropyl 2-phenoxybutanedioate?
The canonical SMILES for dipropyl 2-phenoxybutanedioate is CCCOC(=O)CC(Oc1ccccc1)C(=O)OCCC.
What is the InChIKey of dipropyl 2-phenoxybutanedioate?
The InChIKey is OWPKFONYGKQGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-3-10-19-15(17)12-14(16(18)20-11-4-2)21-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3.
What are the key properties of dipropyl 2-phenoxybutanedioate?
dipropyl 2-phenoxybutanedioate has a molecular weight of 294.35 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-phenoxybutanedioate is sourced from PubChem (CID 139989420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).