4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene

C10H12BrClO — CID 28981483

IUPAC4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(Br)cc1CCl
InChIInChI=1S/C10H12BrClO/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,6H2,1-2H3
InChIKeyNNDVIQHVQJICED-UHFFFAOYSA-N
MW263.56 g/mol
LogP3.98
Rot. Bonds3

About 4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene

4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene (PubChem CID 28981483) has the molecular formula C10H12BrClO and a molecular weight of 263.56 g/mol. Its IUPAC name is 4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
PubChem CID28981483
Molecular FormulaC10H12BrClO
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Name4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(Br)cc1CCl
InChIInChI=1S/C10H12BrClO/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,6H2,1-2H3
InChIKeyNNDVIQHVQJICED-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 53.98
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

2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
2-bromo-1-(chloromethyl)-3-propan-2-yloxybenzene
CID 126987688
(2R)-1-[(5-bromo-2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996904
(5-bromo-2-propan-2-yloxyphenyl)methyl-prop-2-enylazanium
CID 7390206
4-bromo-2-methoxy-1-propan-2-yloxybenzene
CID 11149245
4-bromo-2-(chloromethyl)-1-(trifluoromethoxy)benzene
CID 72699152
1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene
CID 20631724
4-bromo-2-chloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43774893
2-(5-bromo-2-propan-2-yloxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852458
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 78936916
4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene
CID 114061651

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene?
The IUPAC name of 4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene (CID 28981483) is 4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene.
What is the SMILES notation for 4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene?
The canonical SMILES for 4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene is CC(C)Oc1ccc(Br)cc1CCl.
What is the InChIKey of 4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene?
The InChIKey is NNDVIQHVQJICED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene?
4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene has a molecular weight of 263.56 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene is sourced from PubChem (CID 28981483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).