6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one

C15H17BrO2 — CID 58424743

IUPAC6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESCCC1CCC2(CC(=O)c3cc(Br)ccc3O2)C1
InChIInChI=1S/C15H17BrO2/c1-2-10-5-6-15(8-10)9-13(17)12-7-11(16)3-4-14(12)18-15/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyORJVMGPKMZOMHN-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.36
Rot. Bonds1

About 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one

6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one (PubChem CID 58424743) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
PubChem CID58424743
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESCCC1CCC2(CC(=O)c3cc(Br)ccc3O2)C1
InChIInChI=1S/C15H17BrO2/c1-2-10-5-6-15(8-10)9-13(17)12-7-11(16)3-4-14(12)18-15/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyORJVMGPKMZOMHN-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The IUPAC name of 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one (CID 58424743) is 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The canonical SMILES for 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one is CCC1CCC2(CC(=O)c3cc(Br)ccc3O2)C1.
What is the InChIKey of 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The InChIKey is ORJVMGPKMZOMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-2-10-5-6-15(8-10)9-13(17)12-7-11(16)3-4-14(12)18-15/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one has a molecular weight of 309.20 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 58424743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).