1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene

C10H9BrCl2O — CID 171366277

IUPAC1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene
SMILESClc1cc(Cl)c(OCC2CC2)c(Br)c1
InChIInChI=1S/C10H9BrCl2O/c11-8-3-7(12)4-9(13)10(8)14-5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyUVARWXCIKUUFQP-UHFFFAOYSA-N
MW295.99 g/mol
LogP4.54
Rot. Bonds3

About 1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene

1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene (PubChem CID 171366277) has the molecular formula C10H9BrCl2O and a molecular weight of 295.99 g/mol. Its IUPAC name is 1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene
PubChem CID171366277
Molecular FormulaC10H9BrCl2O
Molecular Weight295.99 g/mol
Exact Mass293.92
IUPAC Name1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene
SMILESClc1cc(Cl)c(OCC2CC2)c(Br)c1
InChIInChI=1S/C10H9BrCl2O/c11-8-3-7(12)4-9(13)10(8)14-5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyUVARWXCIKUUFQP-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.99
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-3,5-dichloro-2-(cyclobutylmethoxy)benzene
CID 65458771
3-bromo-5-chloro-2-(cyclopropylmethoxy)pyridine
CID 114837615
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
CID 65457585
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane
CID 62385711
1,5-dichloro-3-(chloromethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 106929887
[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol
CID 107738957
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616
2-(2-bromo-4,6-dichlorophenoxy)-1-[4-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 17096623
N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
CID 63499376
3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
CID 43690788

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene?
The IUPAC name of 1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene (CID 171366277) is 1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene.
What is the SMILES notation for 1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene?
The canonical SMILES for 1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene is Clc1cc(Cl)c(OCC2CC2)c(Br)c1.
What is the InChIKey of 1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene?
The InChIKey is UVARWXCIKUUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2O/c11-8-3-7(12)4-9(13)10(8)14-5-6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene?
1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene has a molecular weight of 295.99 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-dichloro-2-(cyclopropylmethoxy)benzene is sourced from PubChem (CID 171366277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).