(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone

C13H6Cl2O2S — CID 112614526

IUPAC(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)c1ccc(Cl)s1
InChIInChI=1S/C13H6Cl2O2S/c14-8-3-1-2-7-6-9(17-13(7)8)12(16)10-4-5-11(15)18-10/h1-6H
InChIKeyGUWMVHDCKJHVPR-UHFFFAOYSA-N
MW297.16 g/mol
LogP5.03
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone

(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 112614526) has the molecular formula C13H6Cl2O2S and a molecular weight of 297.16 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
PubChem CID112614526
Molecular FormulaC13H6Cl2O2S
Molecular Weight297.16 g/mol
Exact Mass295.95
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)c1ccc(Cl)s1
InChIInChI=1S/C13H6Cl2O2S/c14-8-3-1-2-7-6-9(17-13(7)8)12(16)10-4-5-11(15)18-10/h1-6H
InChIKeyGUWMVHDCKJHVPR-UHFFFAOYSA-N
XLogP5.03
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.16
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114726075
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
CID 114726081
(Z)-1-(7-chloro-1-benzofuran-2-yl)-2-ethylbut-2-en-1-one
CID 103447457
(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726090
5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid
CID 106946948

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone (CID 112614526) is (7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone is O=C(c1cc2cccc(Cl)c2o1)c1ccc(Cl)s1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is GUWMVHDCKJHVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2O2S/c14-8-3-1-2-7-6-9(17-13(7)8)12(16)10-4-5-11(15)18-10/h1-6H.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone?
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 297.16 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 112614526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).