[2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate

C15H18F2O5 — CID 15463463

IUPAC[2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate
SMILESCCC(=O)OCC(O)(COC(=O)CC)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2O5/c1-3-13(18)21-8-15(20,9-22-14(19)4-2)11-6-5-10(16)7-12(11)17/h5-7,20H,3-4,8-9H2,1-2H3
InChIKeyQRRARMSKUUTSBU-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.06
Rot. Bonds7

About [2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate

[2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate (PubChem CID 15463463) has the molecular formula C15H18F2O5 and a molecular weight of 316.30 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate
PubChem CID15463463
Molecular FormulaC15H18F2O5
Molecular Weight316.30 g/mol
Exact Mass316.11
IUPAC Name[2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate
SMILESCCC(=O)OCC(O)(COC(=O)CC)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2O5/c1-3-13(18)21-8-15(20,9-22-14(19)4-2)11-6-5-10(16)7-12(11)17/h5-7,20H,3-4,8-9H2,1-2H3
InChIKeyQRRARMSKUUTSBU-UHFFFAOYSA-N
XLogP2.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
CID 55071402
ethyl (3S)-3-amino-3-(2,4-difluorophenyl)butanoate
CID 67025344
(2,4-difluorophenyl) propanoate
CID 18525986
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
2-(2,4-difluorophenyl)-2-ethylbutanoic acid
CID 64560988
[1-butanoyloxy-2-(2,4-difluorophenyl)-2-hydroxypropyl] butanoate
CID 90805539
2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol
CID 70193274
methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate
CID 66097553
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate
CID 65233544
ethyl 2-(2,4-difluorophenyl)-2,3-dimethylbutanoate
CID 117047913
1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate?
The IUPAC name of [2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate (CID 15463463) is [2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate.
What is the SMILES notation for [2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate?
The canonical SMILES for [2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate is CCC(=O)OCC(O)(COC(=O)CC)c1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate?
The InChIKey is QRRARMSKUUTSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O5/c1-3-13(18)21-8-15(20,9-22-14(19)4-2)11-6-5-10(16)7-12(11)17/h5-7,20H,3-4,8-9H2,1-2H3.
What are the key properties of [2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate?
[2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate has a molecular weight of 316.30 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate is sourced from PubChem (CID 15463463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).