(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone

C14H9ClO3 — CID 114726090

IUPAC(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H9ClO3/c1-8-10(5-6-17-8)13(16)12-7-9-3-2-4-11(15)14(9)18-12/h2-7H,1H3
InChIKeyJTMALUKQLXPPBF-UHFFFAOYSA-N
MW260.68 g/mol
LogP4.22
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone

(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone (PubChem CID 114726090) has the molecular formula C14H9ClO3 and a molecular weight of 260.68 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
PubChem CID114726090
Molecular FormulaC14H9ClO3
Molecular Weight260.68 g/mol
Exact Mass260.02
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H9ClO3/c1-8-10(5-6-17-8)13(16)12-7-9-3-2-4-11(15)14(9)18-12/h2-7H,1H3
InChIKeyJTMALUKQLXPPBF-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

(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114737213
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
CID 115810736
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone (CID 114726090) is (7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone?
The InChIKey is JTMALUKQLXPPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3/c1-8-10(5-6-17-8)13(16)12-7-9-3-2-4-11(15)14(9)18-12/h2-7H,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone?
(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-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 (7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 114726090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).