methyl 3-[4-(4-fluorophenyl)phenyl]propanoate

C16H15FO2 — CID 67181950

IUPACmethyl 3-[4-(4-fluorophenyl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2/c1-19-16(18)11-4-12-2-5-13(6-3-12)14-7-9-15(17)10-8-14/h2-3,5-10H,4,11H2,1H3
InChIKeyKRULZLPRUOIEPF-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.60
Rot. Bonds4

About methyl 3-[4-(4-fluorophenyl)phenyl]propanoate

methyl 3-[4-(4-fluorophenyl)phenyl]propanoate (PubChem CID 67181950) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is methyl 3-[4-(4-fluorophenyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-fluorophenyl)phenyl]propanoate
PubChem CID67181950
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Namemethyl 3-[4-(4-fluorophenyl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2/c1-19-16(18)11-4-12-2-5-13(6-3-12)14-7-9-15(17)10-8-14/h2-3,5-10H,4,11H2,1H3
InChIKeyKRULZLPRUOIEPF-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
methyl (E)-5-[4-(4-fluorophenyl)phenyl]-3-methylpent-2-enoate
CID 82543606
(4-fluorophenyl) 3-(4-methylphenyl)propanoate
CID 19220615
methyl 4-[4-(4-fluorobenzoyl)phenyl]butanoate
CID 10756621
methyl 4-(4-fluorophenyl)-2-oxobutanoate
CID 18370211
3-[4-(4-fluorophenyl)phenyl]propanamide
CID 150390429
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995
hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium
CID 69477397
methyl 3-(4-formylphenyl)propanoate
CID 11063253
methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
CID 159099314

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-fluorophenyl)phenyl]propanoate?
The IUPAC name of methyl 3-[4-(4-fluorophenyl)phenyl]propanoate (CID 67181950) is methyl 3-[4-(4-fluorophenyl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(4-fluorophenyl)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-(4-fluorophenyl)phenyl]propanoate is COC(=O)CCc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of methyl 3-[4-(4-fluorophenyl)phenyl]propanoate?
The InChIKey is KRULZLPRUOIEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-19-16(18)11-4-12-2-5-13(6-3-12)14-7-9-15(17)10-8-14/h2-3,5-10H,4,11H2,1H3.
What are the key properties of methyl 3-[4-(4-fluorophenyl)phenyl]propanoate?
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate has a molecular weight of 258.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-fluorophenyl)phenyl]propanoate is sourced from PubChem (CID 67181950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).