(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone

C16H10BrFO2 — CID 107957391

IUPAC(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1cccc2cc(C(=O)c3cccc(Br)c3F)oc12
InChIInChI=1S/C16H10BrFO2/c1-9-4-2-5-10-8-13(20-16(9)10)15(19)11-6-3-7-12(17)14(11)18/h2-8H,1H3
InChIKeyOWUAYBCKLIIKCV-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.87
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone

(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone (PubChem CID 107957391) has the molecular formula C16H10BrFO2 and a molecular weight of 333.16 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
PubChem CID107957391
Molecular FormulaC16H10BrFO2
Molecular Weight333.16 g/mol
Exact Mass331.98
IUPAC Name(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1cccc2cc(C(=O)c3cccc(Br)c3F)oc12
InChIInChI=1S/C16H10BrFO2/c1-9-4-2-5-10-8-13(20-16(9)10)15(19)11-6-3-7-12(17)14(11)18/h2-8H,1H3
InChIKeyOWUAYBCKLIIKCV-UHFFFAOYSA-N
XLogP4.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
(4-bromo-3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114726267
(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 105124504
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115808386
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone (CID 107957391) is (3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone is Cc1cccc2cc(C(=O)c3cccc(Br)c3F)oc12.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is OWUAYBCKLIIKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO2/c1-9-4-2-5-10-8-13(20-16(9)10)15(19)11-6-3-7-12(17)14(11)18/h2-8H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 333.16 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 107957391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).