(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone

C15H9BrClFO2 — CID 104541273

IUPAC(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone
SMILESO=C(c1cc(Br)cc2c1OCC2)c1c(F)cccc1Cl
InChIInChI=1S/C15H9BrClFO2/c16-9-6-8-4-5-20-15(8)10(7-9)14(19)13-11(17)2-1-3-12(13)18/h1-3,6-7H,4-5H2
InChIKeyCQOQJNFLCAVKHT-UHFFFAOYSA-N
MW355.59 g/mol
LogP4.41
Rot. Bonds2

About (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone (PubChem CID 104541273) has the molecular formula C15H9BrClFO2 and a molecular weight of 355.59 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone
PubChem CID104541273
Molecular FormulaC15H9BrClFO2
Molecular Weight355.59 g/mol
Exact Mass353.95
IUPAC Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone
SMILESO=C(c1cc(Br)cc2c1OCC2)c1c(F)cccc1Cl
InChIInChI=1S/C15H9BrClFO2/c16-9-6-8-4-5-20-15(8)10(7-9)14(19)13-11(17)2-1-3-12(13)18/h1-3,6-7H,4-5H2
InChIKeyCQOQJNFLCAVKHT-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.59
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Bromo-2-(3-chlorophenyl)-4h-chromen-4-one
CID 44298914
6-Bromo-4'-chloroflavone
CID 688988
6-bromo-2-(2-chlorophenyl)-4H-chromen-4-one
CID 688993
6-Bromo-3-(4-chlorophenyl)chromen-4-one
CID 56655521
5-Bromo-2-[(4-chlorobenzyl)oxy]benzaldehyde
CID 2899590
5-Bromo-2-[(2-chloro-6-fluorobenzyl)oxy]benzaldehyde
CID 759800
5-Bromo-2-[(2-chlorobenzyl)oxy]benzaldehyde
CID 882526
Ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate
CID 1271159
(3E)-6-bromo-3-[(4-chlorophenyl)methylidene]chromen-4-one
CID 5466991
(3E)-6-bromo-3-[(2-chlorophenyl)methylidene]chromen-4-one
CID 5466992
6-Bromo-3-(4-chlorobenzylidene)-2,3-dihydro-4H-chromen-4-one
CID 5912765
(3Z)-6-bromo-3-[(2-chlorophenyl)methylene]chroman-4-one
CID 6051354

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone (CID 104541273) is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone is O=C(c1cc(Br)cc2c1OCC2)c1c(F)cccc1Cl.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone?
The InChIKey is CQOQJNFLCAVKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFO2/c16-9-6-8-4-5-20-15(8)10(7-9)14(19)13-11(17)2-1-3-12(13)18/h1-3,6-7H,4-5H2.
What are the key properties of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone?
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone has a molecular weight of 355.59 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chloro-6-fluorophenyl)methanone is sourced from PubChem (CID 104541273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).