methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate

C19H19FO4 — CID 11438917

IUPACmethyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate
SMILESCOC(=O)C(C)(F)c1ccc(C2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C19H19FO4/c1-18(20,17(21)22-2)14-8-10-16(11-9-14)19(23-12-13-24-19)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyUWESQXCTKZLKPT-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.29
Rot. Bonds4

About methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate

methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate (PubChem CID 11438917) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate
PubChem CID11438917
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Namemethyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate
SMILESCOC(=O)C(C)(F)c1ccc(C2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C19H19FO4/c1-18(20,17(21)22-2)14-8-10-16(11-9-14)19(23-12-13-24-19)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyUWESQXCTKZLKPT-UHFFFAOYSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diethyl 4,4'-biphenyldicarboxylate
CID 261553
3-[4-[2-(5,5,8,8-Tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]phenyl]propanoic acid
CID 121472075
4,4'-Dimethylenebis(ethyl benzoate)
CID 853458
Propyl 4-[4-(8-oxo-1,4-dioxaspiro[4.5]deca-6,9-dien-3-yl)phenyl]benzoate
CID 73352201
Propyl 3-[4-(8-oxo-1,4-dioxaspiro[4.5]deca-6,9-dien-3-yl)phenyl]benzoate
CID 73356724
3-[4-(8-Oxo-1,4-dioxaspiro[4.5]deca-6,9-dien-3-yl)phenyl]benzoic acid
CID 72206001
4-[4-(8-Oxo-1,4-dioxaspiro[4.5]deca-6,9-dien-3-yl)phenyl]benzoic acid
CID 72206002
Methyl 3-[4-(8-oxo-1,4-dioxaspiro[4.5]deca-6,9-dien-3-yl)phenyl]benzoate
CID 72206177
Methyl 4-[4-(8-oxo-1,4-dioxaspiro[4.5]deca-6,9-dien-3-yl)phenyl]benzoate
CID 72206178
Methyl 2-fluoro-5-[4-(8-oxo-1,4-dioxaspiro[4.5]deca-6,9-dien-3-yl)phenyl]benzoate
CID 72206356
[(E)-3-phenylprop-2-enyl] 2-[4-(2-methylpropyl)phenyl]propanoate
CID 122196511
1-Methylethyl [1,1'-biphenyl]-4-carboxylate
CID 52448721

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate?
The IUPAC name of methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate (CID 11438917) is methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate.
What is the SMILES notation for methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate?
The canonical SMILES for methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate is COC(=O)C(C)(F)c1ccc(C2(c3ccccc3)OCCO2)cc1.
What is the InChIKey of methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate?
The InChIKey is UWESQXCTKZLKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c1-18(20,17(21)22-2)14-8-10-16(11-9-14)19(23-12-13-24-19)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate?
methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate has a molecular weight of 330.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]propanoate is sourced from PubChem (CID 11438917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).