2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid

C16H13FO2 — CID 122391746

IUPAC2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid
SMILESO=C(O)c1ccccc1C/C=C/c1ccc(F)cc1
InChIInChI=1S/C16H13FO2/c17-14-10-8-12(9-11-14)4-3-6-13-5-1-2-7-15(13)16(18)19/h1-5,7-11H,6H2,(H,18,19)/b4-3+
InChIKeyDRDFRAZMKQPUQM-ONEGZZNKSA-N
MW256.28 g/mol
LogP3.78
Rot. Bonds4

About 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid

2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid (PubChem CID 122391746) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid
PubChem CID122391746
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid
SMILESO=C(O)c1ccccc1C/C=C/c1ccc(F)cc1
InChIInChI=1S/C16H13FO2/c17-14-10-8-12(9-11-14)4-3-6-13-5-1-2-7-15(13)16(18)19/h1-5,7-11H,6H2,(H,18,19)/b4-3+
InChIKeyDRDFRAZMKQPUQM-ONEGZZNKSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid?
The IUPAC name of 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid (CID 122391746) is 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid.
What is the SMILES notation for 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid?
The canonical SMILES for 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid is O=C(O)c1ccccc1C/C=C/c1ccc(F)cc1.
What is the InChIKey of 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid?
The InChIKey is DRDFRAZMKQPUQM-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H13FO2/c17-14-10-8-12(9-11-14)4-3-6-13-5-1-2-7-15(13)16(18)19/h1-5,7-11H,6H2,(H,18,19)/b4-3+.
What are the key properties of 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid?
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid has a molecular weight of 256.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid is sourced from PubChem (CID 122391746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).