methyl 2-(3-fluoro-4-phenylphenyl)propanoate

C16H15FO2 — CID 4127

IUPACmethyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyCPJBKHZROFMSQM-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.77
Rot. Bonds3

About methyl 2-(3-fluoro-4-phenylphenyl)propanoate

methyl 2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 4127) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is methyl 2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID4127
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Namemethyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyCPJBKHZROFMSQM-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of methyl 2-(3-fluoro-4-phenylphenyl)propanoate (CID 4127) is methyl 2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for methyl 2-(3-fluoro-4-phenylphenyl)propanoate is COC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is CPJBKHZROFMSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
methyl 2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 258.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 4127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).