(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone

C13H11ClO2 — CID 65427632

IUPAC(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone
SMILESCc1cc(Cl)cc2cc(C(=O)C3CC3)oc12
InChIInChI=1S/C13H11ClO2/c1-7-4-10(14)5-9-6-11(16-13(7)9)12(15)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyPGERNMLJQCLPMV-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.99
Rot. Bonds2

About (5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone

(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone (PubChem CID 65427632) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is (5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone
PubChem CID65427632
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone
SMILESCc1cc(Cl)cc2cc(C(=O)C3CC3)oc12
InChIInChI=1S/C13H11ClO2/c1-7-4-10(14)5-9-6-11(16-13(7)9)12(15)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyPGERNMLJQCLPMV-UHFFFAOYSA-N
XLogP3.99
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone?
The IUPAC name of (5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone (CID 65427632) is (5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone?
The canonical SMILES for (5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone is Cc1cc(Cl)cc2cc(C(=O)C3CC3)oc12.
What is the InChIKey of (5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone?
The InChIKey is PGERNMLJQCLPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c1-7-4-10(14)5-9-6-11(16-13(7)9)12(15)8-2-3-8/h4-6,8H,2-3H2,1H3.
What are the key properties of (5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone?
(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone has a molecular weight of 234.68 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 65427632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).