1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene

C10H12BrClO2 — CID 57343575

IUPAC1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene
SMILESCOC(CBr)(OC)c1ccccc1Cl
InChIInChI=1S/C10H12BrClO2/c1-13-10(7-11,14-2)8-5-3-4-6-9(8)12/h3-6H,7H2,1-2H3
InChIKeyVOYBCAHHJLQYPF-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.18
Rot. Bonds4

About 1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene

1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene (PubChem CID 57343575) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene
PubChem CID57343575
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene
SMILESCOC(CBr)(OC)c1ccccc1Cl
InChIInChI=1S/C10H12BrClO2/c1-13-10(7-11,14-2)8-5-3-4-6-9(8)12/h3-6H,7H2,1-2H3
InChIKeyVOYBCAHHJLQYPF-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-2-methoxybenzene
CID 79446634
1-(1-bromo-2-fluoropropan-2-yl)-2-chlorobenzene
CID 53402375
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158
1-[1-bromo-2-(bromomethyl)-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]-2-chlorobenzene
CID 112592559
1-chloro-2-[1-chloro-2-(chloromethyl)-3-methoxypropan-2-yl]benzene
CID 103985311
1-chloro-2-(trichloromethyl)benzene
CID 16494
1-[1-bromo-2-(bromomethyl)decan-2-yl]-2-chlorobenzene
CID 79455262
1-[bromo(difluoro)methyl]-2-chlorobenzene
CID 58133508
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
1-tert-butyl-2-chlorobenzene;methyl formate
CID 174955342
2-(2-chlorophenyl)propan-2-ol
CID 12759846
3-(2-chlorophenyl)pentan-3-amine
CID 61029804

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene?
The IUPAC name of 1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene (CID 57343575) is 1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene.
What is the SMILES notation for 1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene?
The canonical SMILES for 1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene is COC(CBr)(OC)c1ccccc1Cl.
What is the InChIKey of 1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene?
The InChIKey is VOYBCAHHJLQYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-13-10(7-11,14-2)8-5-3-4-6-9(8)12/h3-6H,7H2,1-2H3.
What are the key properties of 1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene?
1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene has a molecular weight of 279.56 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene is sourced from PubChem (CID 57343575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).