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

C17H12BrFO2 — CID 63498188

IUPAC(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
SMILESCCc1oc2ccccc2c1C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C17H12BrFO2/c1-2-14-16(11-5-3-4-6-15(11)21-14)17(20)10-7-8-12(18)13(19)9-10/h3-9H,2H2,1H3
InChIKeyHEEGQWJEKDLLBD-UHFFFAOYSA-N
MW347.18 g/mol
LogP5.13
Rot. Bonds3

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

(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone (PubChem CID 63498188) has the molecular formula C17H12BrFO2 and a molecular weight of 347.18 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
PubChem CID63498188
Molecular FormulaC17H12BrFO2
Molecular Weight347.18 g/mol
Exact Mass346.00
IUPAC Name(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
SMILESCCc1oc2ccccc2c1C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C17H12BrFO2/c1-2-14-16(11-5-3-4-6-15(11)21-14)17(20)10-7-8-12(18)13(19)9-10/h3-9H,2H2,1H3
InChIKeyHEEGQWJEKDLLBD-UHFFFAOYSA-N
XLogP5.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.18
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzbromarone
CID 2333
2-Bromodibenzofuran
CID 6856
Dibenzofuran, 2,7-dibromo-
CID 47643
3-Bromodibenzofuran
CID 296861
2-(4-Bromophenyl)benzofuran
CID 15193131
(3,5-Dibromo-4-methoxyphenyl)(2-ethylbenzofuran-3-yl)methanone
CID 44421473
(Z)-1-[4-bromo-2-(4-fluorophenyl)-1-benzofuran-7-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 168288876
(Z)-1-[4-bromo-2-(4-fluorophenyl)-1-benzofuran-7-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 168293458
4-(3-Phenyl-1-benzofuran-2-yl)butan-2-one
CID 873105
(2Z)-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one
CID 13196575
(2-Ethylbenzofuran-3-yl)(4-methoxy-3,5-dimethylphenyl)methanone
CID 44421471
3-(4-Methoxybenzoyl)-2-methylbenzofuran
CID 11043703

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone (CID 63498188) is (4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone is CCc1oc2ccccc2c1C(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone?
The InChIKey is HEEGQWJEKDLLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFO2/c1-2-14-16(11-5-3-4-6-15(11)21-14)17(20)10-7-8-12(18)13(19)9-10/h3-9H,2H2,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone?
(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone has a molecular weight of 347.18 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 63498188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).