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

C16H10BrFO3 — CID 115810045

IUPAC(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H10BrFO3/c1-20-13-8-10(17)5-6-11(13)15(19)14-7-9-3-2-4-12(18)16(9)21-14/h2-8H,1H3
InChIKeyDIKZJBQMSWLZCZ-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.57
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone

(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 115810045) has the molecular formula C16H10BrFO3 and a molecular weight of 349.16 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID115810045
Molecular FormulaC16H10BrFO3
Molecular Weight349.16 g/mol
Exact Mass347.98
IUPAC Name(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H10BrFO3/c1-20-13-8-10(17)5-6-11(13)15(19)14-7-9-3-2-4-12(18)16(9)21-14/h2-8H,1H3
InChIKeyDIKZJBQMSWLZCZ-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

(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
CID 115810736
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125170
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809899
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone (CID 115810045) is (4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone is COc1cc(Br)ccc1C(=O)c1cc2cccc(F)c2o1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is DIKZJBQMSWLZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO3/c1-20-13-8-10(17)5-6-11(13)15(19)14-7-9-3-2-4-12(18)16(9)21-14/h2-8H,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)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 (4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115810045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).