5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one

C15H11FO2 — CID 155276243

IUPAC5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one
SMILESCc1ccc(-c2ccc3c(c2)COC3=O)cc1F
InChIInChI=1S/C15H11FO2/c1-9-2-3-11(7-14(9)16)10-4-5-13-12(6-10)8-18-15(13)17/h2-7H,8H2,1H3
InChIKeyQIFAKPZJJYFEEP-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.47
Rot. Bonds1

About 5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one

5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one (PubChem CID 155276243) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one
PubChem CID155276243
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one
SMILESCc1ccc(-c2ccc3c(c2)COC3=O)cc1F
InChIInChI=1S/C15H11FO2/c1-9-2-3-11(7-14(9)16)10-4-5-13-12(6-10)8-18-15(13)17/h2-7H,8H2,1H3
InChIKeyQIFAKPZJJYFEEP-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one (CID 155276243) is 5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one is Cc1ccc(-c2ccc3c(c2)COC3=O)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one?
The InChIKey is QIFAKPZJJYFEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c1-9-2-3-11(7-14(9)16)10-4-5-13-12(6-10)8-18-15(13)17/h2-7H,8H2,1H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one?
5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one has a molecular weight of 242.25 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 155276243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).