1-(bromomethoxy)-3-chlorobenzene

C7H6BrClO — CID 22961199

IUPAC1-(bromomethoxy)-3-chlorobenzene
SMILESClc1cccc(OCBr)c1
InChIInChI=1S/C7H6BrClO/c8-5-10-7-3-1-2-6(9)4-7/h1-4H,5H2
InChIKeyUECPHOXWZGRWBE-UHFFFAOYSA-N
MW221.48 g/mol
LogP3.07
Rot. Bonds2

About 1-(bromomethoxy)-3-chlorobenzene

1-(bromomethoxy)-3-chlorobenzene (PubChem CID 22961199) has the molecular formula C7H6BrClO and a molecular weight of 221.48 g/mol. Its IUPAC name is 1-(bromomethoxy)-3-chlorobenzene.

Molecular Properties

Compound Name1-(bromomethoxy)-3-chlorobenzene
PubChem CID22961199
Molecular FormulaC7H6BrClO
Molecular Weight221.48 g/mol
Exact Mass219.93
IUPAC Name1-(bromomethoxy)-3-chlorobenzene
SMILESClc1cccc(OCBr)c1
InChIInChI=1S/C7H6BrClO/c8-5-10-7-3-1-2-6(9)4-7/h1-4H,5H2
InChIKeyUECPHOXWZGRWBE-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 53.07
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

1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
1-(3-bromo-2,2-dimethylpropoxy)-3-chlorobenzene
CID 64995020
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
CID 65007522
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene
CID 139615693
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
3-(bromomethoxy)benzoyl chloride
CID 174361316
3-(3-chlorophenoxy)propanal
CID 63040616
4-bromo-2-[(3-chlorophenoxy)methyl]thiophene
CID 63456534

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethoxy)-3-chlorobenzene?
The IUPAC name of 1-(bromomethoxy)-3-chlorobenzene (CID 22961199) is 1-(bromomethoxy)-3-chlorobenzene.
What is the SMILES notation for 1-(bromomethoxy)-3-chlorobenzene?
The canonical SMILES for 1-(bromomethoxy)-3-chlorobenzene is Clc1cccc(OCBr)c1.
What is the InChIKey of 1-(bromomethoxy)-3-chlorobenzene?
The InChIKey is UECPHOXWZGRWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO/c8-5-10-7-3-1-2-6(9)4-7/h1-4H,5H2.
What are the key properties of 1-(bromomethoxy)-3-chlorobenzene?
1-(bromomethoxy)-3-chlorobenzene has a molecular weight of 221.48 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethoxy)-3-chlorobenzene is sourced from PubChem (CID 22961199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).