2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone

C16H13FO3 — CID 115814405

IUPAC2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc3c2OCC3)ccc1F
InChIInChI=1S/C16H13FO3/c1-19-14-9-11(5-6-13(14)17)15(18)12-4-2-3-10-7-8-20-16(10)12/h2-6,9H,7-8H2,1H3
InChIKeyNTJOYGZSCRLEKJ-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.00
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone

2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 115814405) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID115814405
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc3c2OCC3)ccc1F
InChIInChI=1S/C16H13FO3/c1-19-14-9-11(5-6-13(14)17)15(18)12-4-2-3-10-7-8-20-16(10)12/h2-6,9H,7-8H2,1H3
InChIKeyNTJOYGZSCRLEKJ-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethoxyphenyl)methanone
CID 115814359
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950163
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 107996770
2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 65434765
3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 114744317
(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814281
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone (CID 115814405) is 2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone is COc1cc(C(=O)c2cccc3c2OCC3)ccc1F.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is NTJOYGZSCRLEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-19-14-9-11(5-6-13(14)17)15(18)12-4-2-3-10-7-8-20-16(10)12/h2-6,9H,7-8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 272.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 115814405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).