(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone

C12H9ClO2 — CID 114321321

IUPAC(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone
SMILESO=C(c1cc2c(Cl)cccc2o1)C1CC1
InChIInChI=1S/C12H9ClO2/c13-9-2-1-3-10-8(9)6-11(15-10)12(14)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyMXFAVRSDSNMHNF-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.68
Rot. Bonds2

About (4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone

(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone (PubChem CID 114321321) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is (4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone
PubChem CID114321321
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone
SMILESO=C(c1cc2c(Cl)cccc2o1)C1CC1
InChIInChI=1S/C12H9ClO2/c13-9-2-1-3-10-8(9)6-11(15-10)12(14)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyMXFAVRSDSNMHNF-UHFFFAOYSA-N
XLogP3.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone?
The IUPAC name of (4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone (CID 114321321) is (4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone?
The canonical SMILES for (4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone is O=C(c1cc2c(Cl)cccc2o1)C1CC1.
What is the InChIKey of (4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone?
The InChIKey is MXFAVRSDSNMHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c13-9-2-1-3-10-8(9)6-11(15-10)12(14)7-4-5-7/h1-3,6-7H,4-5H2.
What are the key properties of (4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone?
(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone has a molecular weight of 220.66 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 114321321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).