1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene

C17H17BrCl2 — CID 81308392

IUPAC1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene
SMILESCCc1ccc(CC)c(C(Cl)c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C17H17BrCl2/c1-3-11-5-6-12(4-2)14(9-11)17(20)13-7-8-15(18)16(19)10-13/h5-10,17H,3-4H2,1-2H3
InChIKeyWXFHUNRILZIYPN-UHFFFAOYSA-N
MW372.13 g/mol
LogP6.56
Rot. Bonds4

About 1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene

1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene (PubChem CID 81308392) has the molecular formula C17H17BrCl2 and a molecular weight of 372.13 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene
PubChem CID81308392
Molecular FormulaC17H17BrCl2
Molecular Weight372.13 g/mol
Exact Mass369.99
IUPAC Name1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene
SMILESCCc1ccc(CC)c(C(Cl)c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C17H17BrCl2/c1-3-11-5-6-12(4-2)14(9-11)17(20)13-7-8-15(18)16(19)10-13/h5-10,17H,3-4H2,1-2H3
InChIKeyWXFHUNRILZIYPN-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.13
LogP ≤ 56.56
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-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene
CID 107958899
(3-bromo-4-chlorophenyl)-(2,5-diethylphenyl)methanol
CID 107991251
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
CID 114980844
2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene
CID 81461295
1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 55199070
1,4-dibromo-2-[(4-bromo-3-chlorophenyl)-chloromethyl]-5-methylbenzene
CID 81472967
1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 81295695
4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
CID 55197941
2-[(4-bromo-2-methoxyphenyl)-chloromethyl]-1,4-diethylbenzene
CID 115369895
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene
CID 81308421
1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine
CID 103220356

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene?
The IUPAC name of 1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene (CID 81308392) is 1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene is CCc1ccc(CC)c(C(Cl)c2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of 1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene?
The InChIKey is WXFHUNRILZIYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrCl2/c1-3-11-5-6-12(4-2)14(9-11)17(20)13-7-8-15(18)16(19)10-13/h5-10,17H,3-4H2,1-2H3.
What are the key properties of 1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene?
1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene has a molecular weight of 372.13 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene is sourced from PubChem (CID 81308392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).