1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene

C11H14BrClO — CID 82093771

IUPAC1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene
SMILESCc1cc(Cl)ccc1OC(C)(C)CBr
InChIInChI=1S/C11H14BrClO/c1-8-6-9(13)4-5-10(8)14-11(2,3)7-12/h4-6H,7H2,1-3H3
InChIKeyIBVWASQGEDQRQM-UHFFFAOYSA-N
MW277.59 g/mol
LogP4.20
Rot. Bonds3

About 1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene

1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene (PubChem CID 82093771) has the molecular formula C11H14BrClO and a molecular weight of 277.59 g/mol. Its IUPAC name is 1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene.

Molecular Properties

Compound Name1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene
PubChem CID82093771
Molecular FormulaC11H14BrClO
Molecular Weight277.59 g/mol
Exact Mass275.99
IUPAC Name1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene
SMILESCc1cc(Cl)ccc1OC(C)(C)CBr
InChIInChI=1S/C11H14BrClO/c1-8-6-9(13)4-5-10(8)14-11(2,3)7-12/h4-6H,7H2,1-3H3
InChIKeyIBVWASQGEDQRQM-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 54.20
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

4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane
CID 143548597
4-chloro-2-methyl-1-(2-methylbut-3-yn-2-yloxy)benzene
CID 126727889
2,2-bis(4-chloro-2-methylphenoxy)propanedioic acid
CID 154145035
2-hydroxyethyl 2,2-bis(4-chloro-2-methylphenoxy)propanoate
CID 175136143
1-[2-(bromomethyl)-4-chlorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087609
5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
CID 54798405
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
CID 107087281
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine
CID 65255914
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354110
4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine
CID 82090687

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene?
The IUPAC name of 1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene (CID 82093771) is 1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene.
What is the SMILES notation for 1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene?
The canonical SMILES for 1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene is Cc1cc(Cl)ccc1OC(C)(C)CBr.
What is the InChIKey of 1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene?
The InChIKey is IBVWASQGEDQRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO/c1-8-6-9(13)4-5-10(8)14-11(2,3)7-12/h4-6H,7H2,1-3H3.
What are the key properties of 1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene?
1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene has a molecular weight of 277.59 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene is sourced from PubChem (CID 82093771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).