2-chloro-1-dibenzofuran-2-ylethanone

C14H9ClO2 — CID 2757441

IUPAC2-chloro-1-dibenzofuran-2-ylethanone
SMILESO=C(CCl)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C14H9ClO2/c15-8-12(16)9-5-6-14-11(7-9)10-3-1-2-4-13(10)17-14/h1-7H,8H2
InChIKeyWRIMNMMGJFHYMN-UHFFFAOYSA-N
MW244.68 g/mol
LogP4.01
Rot. Bonds2

About 2-chloro-1-dibenzofuran-2-ylethanone

2-chloro-1-dibenzofuran-2-ylethanone (PubChem CID 2757441) has the molecular formula C14H9ClO2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-1-dibenzofuran-2-ylethanone.

Molecular Properties

Compound Name2-chloro-1-dibenzofuran-2-ylethanone
PubChem CID2757441
Molecular FormulaC14H9ClO2
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name2-chloro-1-dibenzofuran-2-ylethanone
SMILESO=C(CCl)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C14H9ClO2/c15-8-12(16)9-5-6-14-11(7-9)10-3-1-2-4-13(10)17-14/h1-7H,8H2
InChIKeyWRIMNMMGJFHYMN-UHFFFAOYSA-N
XLogP4.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-dibenzofuran-2-ylethanone?
The IUPAC name of 2-chloro-1-dibenzofuran-2-ylethanone (CID 2757441) is 2-chloro-1-dibenzofuran-2-ylethanone.
What is the SMILES notation for 2-chloro-1-dibenzofuran-2-ylethanone?
The canonical SMILES for 2-chloro-1-dibenzofuran-2-ylethanone is O=C(CCl)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-chloro-1-dibenzofuran-2-ylethanone?
The InChIKey is WRIMNMMGJFHYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO2/c15-8-12(16)9-5-6-14-11(7-9)10-3-1-2-4-13(10)17-14/h1-7H,8H2.
What are the key properties of 2-chloro-1-dibenzofuran-2-ylethanone?
2-chloro-1-dibenzofuran-2-ylethanone has a molecular weight of 244.68 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-dibenzofuran-2-ylethanone is sourced from PubChem (CID 2757441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).