(4-fluorophenyl) 3-phenylpropanoate

C15H13FO2 — CID 562084

IUPAC(4-fluorophenyl) 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C15H13FO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKeyVBAHRMYBBLXTMM-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.36
Rot. Bonds4

About (4-fluorophenyl) 3-phenylpropanoate

(4-fluorophenyl) 3-phenylpropanoate (PubChem CID 562084) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is (4-fluorophenyl) 3-phenylpropanoate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-phenylpropanoate
PubChem CID562084
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name(4-fluorophenyl) 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C15H13FO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKeyVBAHRMYBBLXTMM-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

CID 70464798
CID 70464798
(4-fluorophenyl) 3-(4-methylphenyl)propanoate
CID 19220615
2-[3-(4-fluorophenyl)propanoyloxy]benzoic acid
CID 54419547
(3,4-dimethylphenyl) 3-phenylpropanoate
CID 733835
[4-(4-cyanophenyl)phenyl] 3-phenylpropanoate
CID 3875588
phenyl 5-phenylpentanoate
CID 10944973
(4-hydroxyphenyl) 4-phenylbutanoate
CID 66680445
(4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate
CID 174646519
(4-fluorophenyl) 3-(2-nitrophenyl)propanoate
CID 156509085
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate
CID 35624176
(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate
CID 34465464

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-phenylpropanoate?
The IUPAC name of (4-fluorophenyl) 3-phenylpropanoate (CID 562084) is (4-fluorophenyl) 3-phenylpropanoate.
What is the SMILES notation for (4-fluorophenyl) 3-phenylpropanoate?
The canonical SMILES for (4-fluorophenyl) 3-phenylpropanoate is O=C(CCc1ccccc1)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 3-phenylpropanoate?
The InChIKey is VBAHRMYBBLXTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2.
What are the key properties of (4-fluorophenyl) 3-phenylpropanoate?
(4-fluorophenyl) 3-phenylpropanoate has a molecular weight of 244.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-phenylpropanoate is sourced from PubChem (CID 562084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).