1-bromo-2-(2-chloropropoxy)benzene

C9H10BrClO — CID 22752746

IUPAC1-bromo-2-(2-chloropropoxy)benzene
SMILESCC(Cl)COc1ccccc1Br
InChIInChI=1S/C9H10BrClO/c1-7(11)6-12-9-5-3-2-4-8(9)10/h2-5,7H,6H2,1H3
InChIKeyDEEYDHPEYYABHU-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.46
Rot. Bonds3

About 1-bromo-2-(2-chloropropoxy)benzene

1-bromo-2-(2-chloropropoxy)benzene (PubChem CID 22752746) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 1-bromo-2-(2-chloropropoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(2-chloropropoxy)benzene
PubChem CID22752746
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name1-bromo-2-(2-chloropropoxy)benzene
SMILESCC(Cl)COc1ccccc1Br
InChIInChI=1S/C9H10BrClO/c1-7(11)6-12-9-5-3-2-4-8(9)10/h2-5,7H,6H2,1H3
InChIKeyDEEYDHPEYYABHU-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.46
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-bromo-2-[(2S)-3-chloro-2-methylpropoxy]benzene
CID 86611005
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1-(2-chloropropoxy)-2-iodobenzene
CID 135222476
2-[(2-bromophenoxy)methyl]-3-methylbutane-1-sulfonyl chloride
CID 65013184
N-[1-(2-bromophenoxy)propan-2-yl]acetamide
CID 69419717
2-[(2-bromophenoxy)methyl]-4-methylpentanoic acid
CID 117242120
(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 98734889
2-[(2-bromophenoxy)methyl]-3,3-dimethylbutan-1-ol
CID 117242366
2-[(2-bromophenoxy)methyl]pentan-1-amine
CID 117241854
(2-bromophenoxy)methyl-trifluoro-λ4-sulfane
CID 175094487
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
1-(2-bromophenoxy)-4-methoxybutan-2-ol
CID 117236731

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-chloropropoxy)benzene?
The IUPAC name of 1-bromo-2-(2-chloropropoxy)benzene (CID 22752746) is 1-bromo-2-(2-chloropropoxy)benzene.
What is the SMILES notation for 1-bromo-2-(2-chloropropoxy)benzene?
The canonical SMILES for 1-bromo-2-(2-chloropropoxy)benzene is CC(Cl)COc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2-chloropropoxy)benzene?
The InChIKey is DEEYDHPEYYABHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-7(11)6-12-9-5-3-2-4-8(9)10/h2-5,7H,6H2,1H3.
What are the key properties of 1-bromo-2-(2-chloropropoxy)benzene?
1-bromo-2-(2-chloropropoxy)benzene has a molecular weight of 249.53 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-chloropropoxy)benzene is sourced from PubChem (CID 22752746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).