3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone

C15H13ClO2 — CID 115808599

IUPAC3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)C1CC2CC2C1
InChIInChI=1S/C15H13ClO2/c16-12-1-2-13-10(6-12)7-14(18-13)15(17)11-4-8-3-9(8)5-11/h1-2,6-9,11H,3-5H2
InChIKeyYDXSCFVCWAOKDQ-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.32
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone

3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone (PubChem CID 115808599) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone
PubChem CID115808599
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)C1CC2CC2C1
InChIInChI=1S/C15H13ClO2/c16-12-1-2-13-10(6-12)7-14(18-13)15(17)11-4-8-3-9(8)5-11/h1-2,6-9,11H,3-5H2
InChIKeyYDXSCFVCWAOKDQ-UHFFFAOYSA-N
XLogP4.32
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114725457
[4-(aminomethyl)cyclohexyl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737009
7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808619
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105105126
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 126790453
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
(1-aminocyclobutyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737132
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone (CID 115808599) is 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone is O=C(c1cc2cc(Cl)ccc2o1)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is YDXSCFVCWAOKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-12-1-2-13-10(6-12)7-14(18-13)15(17)11-4-8-3-9(8)5-11/h1-2,6-9,11H,3-5H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone has a molecular weight of 260.72 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115808599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).