1,2-bis(2-bromo-2-methoxyethyl)benzene

C12H16Br2O2 — CID 174782644

IUPAC1,2-bis(2-bromo-2-methoxyethyl)benzene
SMILESCOC(Br)Cc1ccccc1CC(Br)OC
InChIInChI=1S/C12H16Br2O2/c1-15-11(13)7-9-5-3-4-6-10(9)8-12(14)16-2/h3-6,11-12H,7-8H2,1-2H3
InChIKeyKSBWSGJZQLHACQ-UHFFFAOYSA-N
MW352.07 g/mol
LogP3.51
Rot. Bonds6

About 1,2-bis(2-bromo-2-methoxyethyl)benzene

1,2-bis(2-bromo-2-methoxyethyl)benzene (PubChem CID 174782644) has the molecular formula C12H16Br2O2 and a molecular weight of 352.07 g/mol. Its IUPAC name is 1,2-bis(2-bromo-2-methoxyethyl)benzene.

Molecular Properties

Compound Name1,2-bis(2-bromo-2-methoxyethyl)benzene
PubChem CID174782644
Molecular FormulaC12H16Br2O2
Molecular Weight352.07 g/mol
Exact Mass349.95
IUPAC Name1,2-bis(2-bromo-2-methoxyethyl)benzene
SMILESCOC(Br)Cc1ccccc1CC(Br)OC
InChIInChI=1S/C12H16Br2O2/c1-15-11(13)7-9-5-3-4-6-10(9)8-12(14)16-2/h3-6,11-12H,7-8H2,1-2H3
InChIKeyKSBWSGJZQLHACQ-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.07
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
2-bromo-1-[2-(methoxymethyl)phenyl]-4-methylpentan-3-one
CID 62394663
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
3-bromo-4-[2-(2-methoxyethyl)phenyl]butan-2-one
CID 102908193
1-(4-bromo-2-methylpentyl)-2-methoxybenzene
CID 64721690
3-[2-(2-methoxypropyl)phenyl]propan-1-amine
CID 115113273
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300
1-ethyl-2-(2-methylbutyl)benzene
CID 91267290
2-(3-hydroxy-2-methoxypropyl)phenol
CID 105440000
1-(2,2-dimethoxyethyl)-2-phenylbenzene
CID 174663950
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methyl-1-benzofuran
CID 63542288

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-bromo-2-methoxyethyl)benzene?
The IUPAC name of 1,2-bis(2-bromo-2-methoxyethyl)benzene (CID 174782644) is 1,2-bis(2-bromo-2-methoxyethyl)benzene.
What is the SMILES notation for 1,2-bis(2-bromo-2-methoxyethyl)benzene?
The canonical SMILES for 1,2-bis(2-bromo-2-methoxyethyl)benzene is COC(Br)Cc1ccccc1CC(Br)OC.
What is the InChIKey of 1,2-bis(2-bromo-2-methoxyethyl)benzene?
The InChIKey is KSBWSGJZQLHACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2O2/c1-15-11(13)7-9-5-3-4-6-10(9)8-12(14)16-2/h3-6,11-12H,7-8H2,1-2H3.
What are the key properties of 1,2-bis(2-bromo-2-methoxyethyl)benzene?
1,2-bis(2-bromo-2-methoxyethyl)benzene has a molecular weight of 352.07 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-bromo-2-methoxyethyl)benzene is sourced from PubChem (CID 174782644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).