7-(4-fluorophenyl)-3H-1-benzofuran-2-one

C14H9FO2 — CID 159249649

IUPAC7-(4-fluorophenyl)-3H-1-benzofuran-2-one
SMILESO=C1Cc2cccc(-c3ccc(F)cc3)c2O1
InChIInChI=1S/C14H9FO2/c15-11-6-4-9(5-7-11)12-3-1-2-10-8-13(16)17-14(10)12/h1-7H,8H2
InChIKeyKVCWVOROZLFHMY-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.95
Rot. Bonds1

About 7-(4-fluorophenyl)-3H-1-benzofuran-2-one

7-(4-fluorophenyl)-3H-1-benzofuran-2-one (PubChem CID 159249649) has the molecular formula C14H9FO2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3H-1-benzofuran-2-one
PubChem CID159249649
Molecular FormulaC14H9FO2
Molecular Weight228.22 g/mol
Exact Mass228.06
IUPAC Name7-(4-fluorophenyl)-3H-1-benzofuran-2-one
SMILESO=C1Cc2cccc(-c3ccc(F)cc3)c2O1
InChIInChI=1S/C14H9FO2/c15-11-6-4-9(5-7-11)12-3-1-2-10-8-13(16)17-14(10)12/h1-7H,8H2
InChIKeyKVCWVOROZLFHMY-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.95
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

8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene
CID 171496490
7H-benzo[d][1]benzoxepin-6-one
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1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
1-[8-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 165409290
benzene-1,3-dicarboxylic acid;7-(4-fluorophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 174553880
6-[2-(4-fluorophenyl)ethyl]pyran-2,4-dione
CID 23450726
2-amino-3-(4-fluorophenyl)naphthalene-1,4-dione
CID 950095
7-(4-methylpiperazin-1-yl)-3H-1-benzofuran-2-one
CID 58146996
2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one
CID 86117797
8-[4-(4-fluorophenyl)phenyl]-4-methyl-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
CID 163671230
4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one
CID 143958162
4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran
CID 158623071

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3H-1-benzofuran-2-one?
The IUPAC name of 7-(4-fluorophenyl)-3H-1-benzofuran-2-one (CID 159249649) is 7-(4-fluorophenyl)-3H-1-benzofuran-2-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3H-1-benzofuran-2-one?
The canonical SMILES for 7-(4-fluorophenyl)-3H-1-benzofuran-2-one is O=C1Cc2cccc(-c3ccc(F)cc3)c2O1.
What is the InChIKey of 7-(4-fluorophenyl)-3H-1-benzofuran-2-one?
The InChIKey is KVCWVOROZLFHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2/c15-11-6-4-9(5-7-11)12-3-1-2-10-8-13(16)17-14(10)12/h1-7H,8H2.
What are the key properties of 7-(4-fluorophenyl)-3H-1-benzofuran-2-one?
7-(4-fluorophenyl)-3H-1-benzofuran-2-one has a molecular weight of 228.22 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3H-1-benzofuran-2-one is sourced from PubChem (CID 159249649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).