(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone

C16H10BrFO2 — CID 115808106

IUPAC(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3ccc(F)cc3Br)cc2c1
InChIInChI=1S/C16H10BrFO2/c1-9-2-5-14-10(6-9)7-15(20-14)16(19)12-4-3-11(18)8-13(12)17/h2-8H,1H3
InChIKeyYZBYYDNYLGBLOA-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.87
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone

(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 115808106) has the molecular formula C16H10BrFO2 and a molecular weight of 333.16 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID115808106
Molecular FormulaC16H10BrFO2
Molecular Weight333.16 g/mol
Exact Mass331.98
IUPAC Name(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3ccc(F)cc3Br)cc2c1
InChIInChI=1S/C16H10BrFO2/c1-9-2-5-14-10(6-9)7-15(20-14)16(19)12-4-3-11(18)8-13(12)17/h2-8H,1H3
InChIKeyYZBYYDNYLGBLOA-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

(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808186
(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107538000
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853
(2-bromo-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337277
(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 18997592
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 115808106) is (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)c3ccc(F)cc3Br)cc2c1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is YZBYYDNYLGBLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO2/c1-9-2-5-14-10(6-9)7-15(20-14)16(19)12-4-3-11(18)8-13(12)17/h2-8H,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
(2-bromo-4-fluorophenyl)-(5-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 (2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115808106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).