1-(6-bromohexoxy)-4-chlorobenzene

C12H16BrClO — CID 11449208

IUPAC1-(6-bromohexoxy)-4-chlorobenzene
SMILESClc1ccc(OCCCCCCBr)cc1
InChIInChI=1S/C12H16BrClO/c13-9-3-1-2-4-10-15-12-7-5-11(14)6-8-12/h5-8H,1-4,9-10H2
InChIKeyZMQHIXINZCKMJF-UHFFFAOYSA-N
MW291.62 g/mol
LogP4.67
Rot. Bonds7

About 1-(6-bromohexoxy)-4-chlorobenzene

1-(6-bromohexoxy)-4-chlorobenzene (PubChem CID 11449208) has the molecular formula C12H16BrClO and a molecular weight of 291.62 g/mol. Its IUPAC name is 1-(6-bromohexoxy)-4-chlorobenzene.

Molecular Properties

Compound Name1-(6-bromohexoxy)-4-chlorobenzene
PubChem CID11449208
Molecular FormulaC12H16BrClO
Molecular Weight291.62 g/mol
Exact Mass290.01
IUPAC Name1-(6-bromohexoxy)-4-chlorobenzene
SMILESClc1ccc(OCCCCCCBr)cc1
InChIInChI=1S/C12H16BrClO/c13-9-3-1-2-4-10-15-12-7-5-11(14)6-8-12/h5-8H,1-4,9-10H2
InChIKeyZMQHIXINZCKMJF-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 54.67
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 1-(6-bromohexoxy)-4-chlorobenzene?
The IUPAC name of 1-(6-bromohexoxy)-4-chlorobenzene (CID 11449208) is 1-(6-bromohexoxy)-4-chlorobenzene.
What is the SMILES notation for 1-(6-bromohexoxy)-4-chlorobenzene?
The canonical SMILES for 1-(6-bromohexoxy)-4-chlorobenzene is Clc1ccc(OCCCCCCBr)cc1.
What is the InChIKey of 1-(6-bromohexoxy)-4-chlorobenzene?
The InChIKey is ZMQHIXINZCKMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClO/c13-9-3-1-2-4-10-15-12-7-5-11(14)6-8-12/h5-8H,1-4,9-10H2.
What are the key properties of 1-(6-bromohexoxy)-4-chlorobenzene?
1-(6-bromohexoxy)-4-chlorobenzene has a molecular weight of 291.62 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromohexoxy)-4-chlorobenzene is sourced from PubChem (CID 11449208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).