1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one

C18H15FO2 — CID 105132388

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C18H15FO2/c1-12-3-2-4-13(9-12)5-7-16(20)18-11-14-10-15(19)6-8-17(14)21-18/h2-4,6,8-11H,5,7H2,1H3
InChIKeyNSINZYCCCTXZAV-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.70
Rot. Bonds4

About 1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one

1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one (PubChem CID 105132388) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one
PubChem CID105132388
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C18H15FO2/c1-12-3-2-4-13(9-12)5-7-16(20)18-11-14-10-15(19)6-8-17(14)21-18/h2-4,6,8-11H,5,7H2,1H3
InChIKeyNSINZYCCCTXZAV-UHFFFAOYSA-N
XLogP4.70
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one (CID 105132388) is 1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one is Cc1cccc(CCC(=O)c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one?
The InChIKey is NSINZYCCCTXZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO2/c1-12-3-2-4-13(9-12)5-7-16(20)18-11-14-10-15(19)6-8-17(14)21-18/h2-4,6,8-11H,5,7H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one?
1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one has a molecular weight of 282.31 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 105132388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).