methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate

C16H14F2O2 — CID 175534287

IUPACmethyl 3-(3,5-difluorophenyl)-3-phenylpropanoate
SMILESCOC(=O)CC(c1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2O2/c1-20-16(19)10-15(11-5-3-2-4-6-11)12-7-13(17)9-14(18)8-12/h2-9,15H,10H2,1H3
InChIKeyBCJNJNZULIDULU-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.66
Rot. Bonds4

About methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate

methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate (PubChem CID 175534287) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-difluorophenyl)-3-phenylpropanoate
PubChem CID175534287
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Namemethyl 3-(3,5-difluorophenyl)-3-phenylpropanoate
SMILESCOC(=O)CC(c1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2O2/c1-20-16(19)10-15(11-5-3-2-4-6-11)12-7-13(17)9-14(18)8-12/h2-9,15H,10H2,1H3
InChIKeyBCJNJNZULIDULU-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
methyl 3-(4-iodophenyl)-3-phenylpropanoate
CID 23729956
methyl 3-(3-bromophenyl)-3-phenylpropanoate
CID 166079744
methyl 3-(3,5-difluorophenyl)-3-hydroxypropanoate
CID 19770417
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 3-amino-3-(3,5-difluorophenyl)propanoate;hydrochloride
CID 171158674
methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate
CID 106534445
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
methyl 3-[4-(2-bromo-2-methylpropanoyl)phenyl]-3-phenylpropanoate
CID 68861696
ethyl 3-(3-methoxy-3-oxo-1-phenylpropyl)benzoate
CID 101466485
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
CID 143560170

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate?
The IUPAC name of methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate (CID 175534287) is methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate.
What is the SMILES notation for methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate?
The canonical SMILES for methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate is COC(=O)CC(c1ccccc1)c1cc(F)cc(F)c1.
What is the InChIKey of methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate?
The InChIKey is BCJNJNZULIDULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-20-16(19)10-15(11-5-3-2-4-6-11)12-7-13(17)9-14(18)8-12/h2-9,15H,10H2,1H3.
What are the key properties of methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate?
methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate has a molecular weight of 276.28 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate is sourced from PubChem (CID 175534287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).