(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone

C16H10BrFO3 — CID 62915012

IUPAC(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3ccc(F)c(Br)c3)oc2c1
InChIInChI=1S/C16H10BrFO3/c1-20-11-4-2-9-7-15(21-14(9)8-11)16(19)10-3-5-13(18)12(17)6-10/h2-8H,1H3
InChIKeyFDCPFIJUBYCXSB-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.57
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone

(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 62915012) has the molecular formula C16H10BrFO3 and a molecular weight of 349.16 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone
PubChem CID62915012
Molecular FormulaC16H10BrFO3
Molecular Weight349.16 g/mol
Exact Mass347.98
IUPAC Name(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3ccc(F)c(Br)c3)oc2c1
InChIInChI=1S/C16H10BrFO3/c1-20-11-4-2-9-7-15(21-14(9)8-11)16(19)10-3-5-13(18)12(17)6-10/h2-8H,1H3
InChIKeyFDCPFIJUBYCXSB-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-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
CID 21316621
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone
CID 79735004
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone
CID 11551551
(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127475
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 11012943
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone (CID 62915012) is (3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone is COc1ccc2cc(C(=O)c3ccc(F)c(Br)c3)oc2c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone?
The InChIKey is FDCPFIJUBYCXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO3/c1-20-11-4-2-9-7-15(21-14(9)8-11)16(19)10-3-5-13(18)12(17)6-10/h2-8H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone?
(3-bromo-4-fluorophenyl)-(6-methoxy-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 (3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 62915012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).