1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene

C11H13Br2ClO — CID 103985355

IUPAC1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene
SMILESCOCC(CBr)(CBr)c1cccc(Cl)c1
InChIInChI=1S/C11H13Br2ClO/c1-15-8-11(6-12,7-13)9-3-2-4-10(14)5-9/h2-5H,6-8H2,1H3
InChIKeyXVDPSBMERLRPMZ-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.01
Rot. Bonds5

About 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene

1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene (PubChem CID 103985355) has the molecular formula C11H13Br2ClO and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene
PubChem CID103985355
Molecular FormulaC11H13Br2ClO
Molecular Weight356.49 g/mol
Exact Mass353.90
IUPAC Name1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene
SMILESCOCC(CBr)(CBr)c1cccc(Cl)c1
InChIInChI=1S/C11H13Br2ClO/c1-15-8-11(6-12,7-13)9-3-2-4-10(14)5-9/h2-5H,6-8H2,1H3
InChIKeyXVDPSBMERLRPMZ-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene
CID 10960134
1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene
CID 83169386
1-[1-bromo-2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-yl]-3-chlorobenzene
CID 79446848
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene
CID 79456321
3-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]-1-methylpyrazole
CID 82881876
[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate
CID 175520847
1-chloro-3-(2-isothiocyanato-1-methoxypropan-2-yl)benzene
CID 170537479
1-[2-(bromomethyl)-2-phenylbutyl]-3-chlorobenzene
CID 66048066
2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 63517133
3-(3-chlorophenyl)-3-ethylpentan-1-amine
CID 83823434
1-bromo-3-[1-bromo-2-(bromomethyl)-5-methoxypentan-2-yl]benzene
CID 79455690

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene?
The IUPAC name of 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene (CID 103985355) is 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene is COCC(CBr)(CBr)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene?
The InChIKey is XVDPSBMERLRPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2ClO/c1-15-8-11(6-12,7-13)9-3-2-4-10(14)5-9/h2-5H,6-8H2,1H3.
What are the key properties of 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene?
1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene has a molecular weight of 356.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene is sourced from PubChem (CID 103985355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).