1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene

C16H13Br3Cl2 — CID 107310923

IUPAC1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene
SMILESClc1cccc(CC(CBr)(CBr)c2ccccc2Br)c1Cl
InChIInChI=1S/C16H13Br3Cl2/c17-9-16(10-18,12-5-1-2-6-13(12)19)8-11-4-3-7-14(20)15(11)21/h1-7H,8-10H2
InChIKeyFMWSRCGKFIIUBD-UHFFFAOYSA-N
MW515.90 g/mol
LogP7.03
Rot. Bonds5

About 1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene

1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene (PubChem CID 107310923) has the molecular formula C16H13Br3Cl2 and a molecular weight of 515.90 g/mol. Its IUPAC name is 1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene
PubChem CID107310923
Molecular FormulaC16H13Br3Cl2
Molecular Weight515.90 g/mol
Exact Mass511.79
IUPAC Name1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene
SMILESClc1cccc(CC(CBr)(CBr)c2ccccc2Br)c1Cl
InChIInChI=1S/C16H13Br3Cl2/c17-9-16(10-18,12-5-1-2-6-13(12)19)8-11-4-3-7-14(20)15(11)21/h1-7H,8-10H2
InChIKeyFMWSRCGKFIIUBD-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.90
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol
CID 107310880
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158
1-[2-(bromomethyl)-2-phenylbutyl]-2,3-dichlorobenzene
CID 107310802
1-[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-3-chloro-2-fluorobenzene
CID 102864007
4-bromo-1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2-fluorobenzene
CID 79444090
1-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-2-methoxybenzene
CID 79446634
1-bromo-2-[1-bromo-2-(bromomethyl)pentan-2-yl]benzene
CID 79455447
2-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 79446654
2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
CID 112653207
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol
CID 102856814
1,2-dichloro-3-(2,2-dichloro-2-phenylethyl)benzene
CID 99118733
1-[3-bromo-2-(bromomethyl)-2-(2-fluorophenyl)propyl]-2,3-difluorobenzene
CID 79446871

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene?
The IUPAC name of 1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene (CID 107310923) is 1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene.
What is the SMILES notation for 1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene?
The canonical SMILES for 1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene is Clc1cccc(CC(CBr)(CBr)c2ccccc2Br)c1Cl.
What is the InChIKey of 1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene?
The InChIKey is FMWSRCGKFIIUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br3Cl2/c17-9-16(10-18,12-5-1-2-6-13(12)19)8-11-4-3-7-14(20)15(11)21/h1-7H,8-10H2.
What are the key properties of 1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene?
1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene has a molecular weight of 515.90 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene is sourced from PubChem (CID 107310923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).