1-bromo-3-(3-chlorocyclobutyl)oxybenzene

C10H10BrClO — CID 66343584

IUPAC1-bromo-3-(3-chlorocyclobutyl)oxybenzene
SMILESClC1CC(Oc2cccc(Br)c2)C1
InChIInChI=1S/C10H10BrClO/c11-7-2-1-3-9(4-7)13-10-5-8(12)6-10/h1-4,8,10H,5-6H2
InChIKeyXAWOFSFJZHAWRR-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.60
Rot. Bonds2

About 1-bromo-3-(3-chlorocyclobutyl)oxybenzene

1-bromo-3-(3-chlorocyclobutyl)oxybenzene (PubChem CID 66343584) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 1-bromo-3-(3-chlorocyclobutyl)oxybenzene.

Molecular Properties

Compound Name1-bromo-3-(3-chlorocyclobutyl)oxybenzene
PubChem CID66343584
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name1-bromo-3-(3-chlorocyclobutyl)oxybenzene
SMILESClC1CC(Oc2cccc(Br)c2)C1
InChIInChI=1S/C10H10BrClO/c11-7-2-1-3-9(4-7)13-10-5-8(12)6-10/h1-4,8,10H,5-6H2
InChIKeyXAWOFSFJZHAWRR-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromophenoxy)oxetane
CID 83487082
(1S,5R)-3-(3-bromophenoxy)-9-azabicyclo[3.3.1]nonane
CID 58878515
3-bromo-5-(3-chlorocyclobutyl)oxypyridine
CID 66345800
1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene
CID 66345084
3-(3-bromophenoxy)-9-(cyclopropylmethyl)-9-azabicyclo[3.3.1]nonane
CID 66840212
2-bromo-5-(3-chlorocyclobutyl)oxy-1,3-dimethylbenzene
CID 107727208
4-bromo-1-(3-chlorocyclobutyl)oxy-2-methylbenzene
CID 66345584
2-[4-(3-bromophenoxy)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977419
3-(3-bromophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane;2,2,2-trifluoroacetic acid
CID 66840236
3-(3-bromophenoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 134430507
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
3-(3-bromophenoxy)-1-cyclopentylpiperidine
CID 84606165

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-chlorocyclobutyl)oxybenzene?
The IUPAC name of 1-bromo-3-(3-chlorocyclobutyl)oxybenzene (CID 66343584) is 1-bromo-3-(3-chlorocyclobutyl)oxybenzene.
What is the SMILES notation for 1-bromo-3-(3-chlorocyclobutyl)oxybenzene?
The canonical SMILES for 1-bromo-3-(3-chlorocyclobutyl)oxybenzene is ClC1CC(Oc2cccc(Br)c2)C1.
What is the InChIKey of 1-bromo-3-(3-chlorocyclobutyl)oxybenzene?
The InChIKey is XAWOFSFJZHAWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c11-7-2-1-3-9(4-7)13-10-5-8(12)6-10/h1-4,8,10H,5-6H2.
What are the key properties of 1-bromo-3-(3-chlorocyclobutyl)oxybenzene?
1-bromo-3-(3-chlorocyclobutyl)oxybenzene has a molecular weight of 261.55 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-chlorocyclobutyl)oxybenzene is sourced from PubChem (CID 66343584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).