5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene

C14H19BrO2 — CID 165177469

IUPAC5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene
SMILESCOc1cc(CBr)cc(OC)c1C1CCCC1
InChIInChI=1S/C14H19BrO2/c1-16-12-7-10(9-15)8-13(17-2)14(12)11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyKHTMMRORMZZQKG-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.26
Rot. Bonds4

About 5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene

5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene (PubChem CID 165177469) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene.

Molecular Properties

Compound Name5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene
PubChem CID165177469
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene
SMILESCOc1cc(CBr)cc(OC)c1C1CCCC1
InChIInChI=1S/C14H19BrO2/c1-16-12-7-10(9-15)8-13(17-2)14(12)11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyKHTMMRORMZZQKG-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.26
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 5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene?
The IUPAC name of 5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene (CID 165177469) is 5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene.
What is the SMILES notation for 5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene?
The canonical SMILES for 5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene is COc1cc(CBr)cc(OC)c1C1CCCC1.
What is the InChIKey of 5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene?
The InChIKey is KHTMMRORMZZQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-16-12-7-10(9-15)8-13(17-2)14(12)11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene?
5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene has a molecular weight of 299.21 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene is sourced from PubChem (CID 165177469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).