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

C16H10BrFO2 — CID 115809878

IUPAC(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3cccc(F)c3o2)cc1Br
InChIInChI=1S/C16H10BrFO2/c1-9-5-6-10(7-12(9)17)15(19)14-8-11-3-2-4-13(18)16(11)20-14/h2-8H,1H3
InChIKeySXBLGUWXGJZAMO-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.87
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone

(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 115809878) has the molecular formula C16H10BrFO2 and a molecular weight of 333.16 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID115809878
Molecular FormulaC16H10BrFO2
Molecular Weight333.16 g/mol
Exact Mass331.98
IUPAC Name(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3cccc(F)c3o2)cc1Br
InChIInChI=1S/C16H10BrFO2/c1-9-5-6-10(7-12(9)17)15(19)14-8-11-3-2-4-13(18)16(11)20-14/h2-8H,1H3
InChIKeySXBLGUWXGJZAMO-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

Analyze (3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 105124504
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809899
(7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877497
(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
CID 115957451
(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115810045
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191
2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114736267

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone (CID 115809878) is (3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone is Cc1ccc(C(=O)c2cc3cccc(F)c3o2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is SXBLGUWXGJZAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO2/c1-9-5-6-10(7-12(9)17)15(19)14-8-11-3-2-4-13(18)16(11)20-14/h2-8H,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
(3-bromo-4-methylphenyl)-(7-fluoro-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-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115809878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).