4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene

C9H9BrCl2O — CID 14773496

IUPAC4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene
SMILESCC(CBr)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9BrCl2O/c1-6(5-10)13-7-2-3-8(11)9(12)4-7/h2-4,6H,5H2,1H3
InChIKeyATIXVEILNLFLNU-UHFFFAOYSA-N
MW283.98 g/mol
LogP4.16
Rot. Bonds3

About 4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene

4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene (PubChem CID 14773496) has the molecular formula C9H9BrCl2O and a molecular weight of 283.98 g/mol. Its IUPAC name is 4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene
PubChem CID14773496
Molecular FormulaC9H9BrCl2O
Molecular Weight283.98 g/mol
Exact Mass281.92
IUPAC Name4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene
SMILESCC(CBr)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9BrCl2O/c1-6(5-10)13-7-2-3-8(11)9(12)4-7/h2-4,6H,5H2,1H3
InChIKeyATIXVEILNLFLNU-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.98
LogP ≤ 54.16
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

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CID 142915874
5-[1-(3,4-dichlorophenoxy)ethyl]-1H-1,2,4-triazole
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2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 55076972
4-(bromomethoxy)-1,2-dichlorobenzene
CID 22961270
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
1-(2-chloro-4-pentan-2-yloxyphenyl)ethanamine
CID 102982374
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
3-[[2-(3,4-dichlorophenoxy)propyl-methylcarbamoyl]amino]propanoic acid
CID 122018410
5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide
CID 59151632

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene?
The IUPAC name of 4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene (CID 14773496) is 4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene.
What is the SMILES notation for 4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene?
The canonical SMILES for 4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene is CC(CBr)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene?
The InChIKey is ATIXVEILNLFLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2O/c1-6(5-10)13-7-2-3-8(11)9(12)4-7/h2-4,6H,5H2,1H3.
What are the key properties of 4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene?
4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene has a molecular weight of 283.98 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene is sourced from PubChem (CID 14773496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).