(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone

C21H13FO — CID 68993545

IUPAC(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C21H13FO/c22-20-13-11-18(12-14-20)21(23)19-8-4-7-17(15-19)10-9-16-5-2-1-3-6-16/h1-8,11-15H
InChIKeyWUJLXWVYLVVHKA-UHFFFAOYSA-N
MW300.33 g/mol
LogP4.46
Rot. Bonds2

About (4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone

(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone (PubChem CID 68993545) has the molecular formula C21H13FO and a molecular weight of 300.33 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone
PubChem CID68993545
Molecular FormulaC21H13FO
Molecular Weight300.33 g/mol
Exact Mass300.10
IUPAC Name(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C21H13FO/c22-20-13-11-18(12-14-20)21(23)19-8-4-7-17(15-19)10-9-16-5-2-1-3-6-16/h1-8,11-15H
InChIKeyWUJLXWVYLVVHKA-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)-[3-[2-(3,4,5-trifluorophenyl)ethynyl]phenyl]methanone
CID 70116855
(4-fluorophenyl)-phenylmethanone
CID 161464622
(3-aminophenyl)-[4-(2-phenylethynyl)phenyl]methanone
CID 23352814
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
benzene-1,4-diol;bis(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-(2-phenylethynyl)phenyl]methanone;[4-[4-[4-[4-(2-phenylethynyl)benzoyl]phenoxy]phenoxy]phenyl]-[4-(2-phenylethynyl)phenyl]methanone
CID 160757901
3-(2-phenylethynyl)benzoate
CID 6994341
4-[2-(3-fluorophenyl)ethynyl]benzoic acid
CID 23533987
(4-fluorophenyl)-(3-iodophenyl)methanone
CID 24722824
(4-fluorophenyl)-[4-[2-[4-(4-iodobenzoyl)phenyl]ethynyl]phenyl]methanone
CID 70875973
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
3-[3-(4-fluorophenyl)-3-oxopropanoyl]benzonitrile
CID 67057138
[4-[4-(4-benzoylphenyl)buta-1,3-diynyl]phenyl]-phenylmethanone
CID 19870024

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone (CID 68993545) is (4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone is O=C(c1ccc(F)cc1)c1cccc(C#Cc2ccccc2)c1.
What is the InChIKey of (4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone?
The InChIKey is WUJLXWVYLVVHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FO/c22-20-13-11-18(12-14-20)21(23)19-8-4-7-17(15-19)10-9-16-5-2-1-3-6-16/h1-8,11-15H.
What are the key properties of (4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone?
(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone has a molecular weight of 300.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone is sourced from PubChem (CID 68993545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).