4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene

C14H19BrO2 — CID 61343201

IUPAC4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
SMILESCOc1cc(CBr)ccc1OCC1CCCC1
InChIInChI=1S/C14H19BrO2/c1-16-14-8-12(9-15)6-7-13(14)17-10-11-4-2-3-5-11/h6-8,11H,2-5,9-10H2,1H3
InChIKeyJNUZEZAGYMIKPF-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.16
Rot. Bonds5

About 4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene

4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene (PubChem CID 61343201) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
PubChem CID61343201
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
SMILESCOc1cc(CBr)ccc1OCC1CCCC1
InChIInChI=1S/C14H19BrO2/c1-16-14-8-12(9-15)6-7-13(14)17-10-11-4-2-3-5-11/h6-8,11H,2-5,9-10H2,1H3
InChIKeyJNUZEZAGYMIKPF-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.16
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 4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene?
The IUPAC name of 4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene (CID 61343201) is 4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene.
What is the SMILES notation for 4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene?
The canonical SMILES for 4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene is COc1cc(CBr)ccc1OCC1CCCC1.
What is the InChIKey of 4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene?
The InChIKey is JNUZEZAGYMIKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-16-14-8-12(9-15)6-7-13(14)17-10-11-4-2-3-5-11/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene?
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene has a molecular weight of 299.21 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene is sourced from PubChem (CID 61343201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).