(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone

C16H10BrFO3 — CID 105125170

IUPAC(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H10BrFO3/c1-20-13-6-5-10(18)8-11(13)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8H,1H3
InChIKeyHFGIGIJHAQNIMH-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.57
Rot. Bonds3

About (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone

(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 105125170) has the molecular formula C16H10BrFO3 and a molecular weight of 349.16 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID105125170
Molecular FormulaC16H10BrFO3
Molecular Weight349.16 g/mol
Exact Mass347.98
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H10BrFO3/c1-20-13-6-5-10(18)8-11(13)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8H,1H3
InChIKeyHFGIGIJHAQNIMH-UHFFFAOYSA-N
XLogP4.57
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115810045
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081902
(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463289
(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39709859
1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone
CID 105078433
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone (CID 105125170) is (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is HFGIGIJHAQNIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO3/c1-20-13-6-5-10(18)8-11(13)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8H,1H3.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone?
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 349.16 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 105125170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).