4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene

C10H12BrClO — CID 162775406

IUPAC4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cc(Br)ccc1Cl
InChIInChI=1S/C10H12BrClO/c1-10(2,3)13-9-6-7(11)4-5-8(9)12/h4-6H,1-3H3
InChIKeyYJWKKXRFVDFGQK-UHFFFAOYSA-N
MW263.56 g/mol
LogP4.28
Rot. Bonds1

About 4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene

4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 162775406) has the molecular formula C10H12BrClO and a molecular weight of 263.56 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID162775406
Molecular FormulaC10H12BrClO
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Name4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cc(Br)ccc1Cl
InChIInChI=1S/C10H12BrClO/c1-10(2,3)13-9-6-7(11)4-5-8(9)12/h4-6H,1-3H3
InChIKeyYJWKKXRFVDFGQK-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637134
1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
CID 166607807
1-[4-chloro-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 59637041
5-bromo-2-[(2-methylpropan-2-yl)oxy]benzonitrile
CID 114891006
(5-bromo-2-chlorophenoxy)boronic acid
CID 142782143
4-bromo-1-chloro-2-(3-ethylsulfonylpropoxy)benzene
CID 65092693
4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene
CID 118986735
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429
6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine
CID 80962529
4-bromo-1-chloro-2-(4,4,4-trifluorobutoxy)benzene
CID 115514016
tert-butyl 2-(5-bromo-2-chlorophenyl)-2-oxoacetate
CID 171825444
4-bromo-1-chloro-2-(2-propoxyethoxy)benzene
CID 106452990

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene (CID 162775406) is 4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is YJWKKXRFVDFGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO/c1-10(2,3)13-9-6-7(11)4-5-8(9)12/h4-6H,1-3H3.
What are the key properties of 4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene?
4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 263.56 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 162775406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).