3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one

C15H11FO2 — CID 71739147

IUPAC3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FO2/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)18-15(13)17/h1-8,13H,9H2
InChIKeyQPWBHVXVJLCDBF-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.07
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one

3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one (PubChem CID 71739147) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one
PubChem CID71739147
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FO2/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)18-15(13)17/h1-8,13H,9H2
InChIKeyQPWBHVXVJLCDBF-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.07
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

p-CRESYL PHENYLACETATE
CID 60997
3,6-Dimethyl-2(3H)-benzofuranone
CID 9793908
2(3H)-Benzofuranone
CID 68382
3-Tolyl phenylacetate
CID 67146
3-Phenylcoumarin
CID 70385
Calycin
CID 54694371
Xanthene-9-carboxylic acid
CID 65736
2-Phenoxyphenylacetic acid
CID 141222
3-Phenyl-2-benzofuranone
CID 226652
4-Methyl-3-phenylcoumarin
CID 477709
2-(4-Phenoxyphenyl)propanoic acid
CID 527817
2-(2-(2-Fluorophenoxy)phenyl)acetic acid
CID 13409348

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one (CID 71739147) is 3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one is O=C1Oc2ccccc2C1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one?
The InChIKey is QPWBHVXVJLCDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)18-15(13)17/h1-8,13H,9H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one?
3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one has a molecular weight of 242.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-3H-1-benzofuran-2-one is sourced from PubChem (CID 71739147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).