4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene

C13H15BrO2 — CID 11011476

IUPAC4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene
SMILESC=C1CCCC1Oc1cc(Br)ccc1OC
InChIInChI=1S/C13H15BrO2/c1-9-4-3-5-11(9)16-13-8-10(14)6-7-12(13)15-2/h6-8,11H,1,3-5H2,2H3
InChIKeyXFRREDIDDZMIRZ-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.95
Rot. Bonds3

About 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene

4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene (PubChem CID 11011476) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene.

Molecular Properties

Compound Name4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene
PubChem CID11011476
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene
SMILESC=C1CCCC1Oc1cc(Br)ccc1OC
InChIInChI=1S/C13H15BrO2/c1-9-4-3-5-11(9)16-13-8-10(14)6-7-12(13)15-2/h6-8,11H,1,3-5H2,2H3
InChIKeyXFRREDIDDZMIRZ-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene 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 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene?
The IUPAC name of 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene (CID 11011476) is 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene.
What is the SMILES notation for 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene?
The canonical SMILES for 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene is C=C1CCCC1Oc1cc(Br)ccc1OC.
What is the InChIKey of 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene?
The InChIKey is XFRREDIDDZMIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-9-4-3-5-11(9)16-13-8-10(14)6-7-12(13)15-2/h6-8,11H,1,3-5H2,2H3.
What are the key properties of 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene?
4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene has a molecular weight of 283.16 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-2-(2-methylidenecyclopentyl)oxybenzene is sourced from PubChem (CID 11011476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).