6-bromohexoxymethylbenzene

C13H19BrO — CID 2784764

IUPAC6-bromohexoxymethylbenzene
SMILESBrCCCCCCOCc1ccccc1
InChIInChI=1S/C13H19BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChIKeyUHDZRWPKYMHVNV-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.16
Rot. Bonds8

About 6-bromohexoxymethylbenzene

6-bromohexoxymethylbenzene (PubChem CID 2784764) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 6-bromohexoxymethylbenzene.

Molecular Properties

Compound Name6-bromohexoxymethylbenzene
PubChem CID2784764
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name6-bromohexoxymethylbenzene
SMILESBrCCCCCCOCc1ccccc1
InChIInChI=1S/C13H19BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChIKeyUHDZRWPKYMHVNV-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromohexoxymethylbenzene?
The IUPAC name of 6-bromohexoxymethylbenzene (CID 2784764) is 6-bromohexoxymethylbenzene.
What is the SMILES notation for 6-bromohexoxymethylbenzene?
The canonical SMILES for 6-bromohexoxymethylbenzene is BrCCCCCCOCc1ccccc1.
What is the InChIKey of 6-bromohexoxymethylbenzene?
The InChIKey is UHDZRWPKYMHVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2.
What are the key properties of 6-bromohexoxymethylbenzene?
6-bromohexoxymethylbenzene has a molecular weight of 271.20 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexoxymethylbenzene is sourced from PubChem (CID 2784764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).