(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone

C14H9ClO3 — CID 106691307

IUPAC(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3ccoc3Cl)cc2c1
InChIInChI=1S/C14H9ClO3/c1-8-2-3-11-9(6-8)7-12(18-11)13(16)10-4-5-17-14(10)15/h2-7H,1H3
InChIKeyJVTUBGUOTVSTCU-UHFFFAOYSA-N
MW260.68 g/mol
LogP4.22
Rot. Bonds2

About (2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone

(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 106691307) has the molecular formula C14H9ClO3 and a molecular weight of 260.68 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID106691307
Molecular FormulaC14H9ClO3
Molecular Weight260.68 g/mol
Exact Mass260.02
IUPAC Name(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3ccoc3Cl)cc2c1
InChIInChI=1S/C14H9ClO3/c1-8-2-3-11-9(6-8)7-12(18-11)13(16)10-4-5-17-14(10)15/h2-7H,1H3
InChIKeyJVTUBGUOTVSTCU-UHFFFAOYSA-N
XLogP4.22
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808186
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130630
(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130288
(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725833

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 106691307) is (2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)c3ccoc3Cl)cc2c1.
What is the InChIKey of (2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is JVTUBGUOTVSTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3/c1-8-2-3-11-9(6-8)7-12(18-11)13(16)10-4-5-17-14(10)15/h2-7H,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 260.68 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 106691307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).