1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene

C17H18BrCl — CID 115484808

IUPAC1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
SMILESCCc1ccccc1C(Br)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C17H18BrCl/c1-4-13-7-5-6-8-14(13)17(18)15-9-11(2)12(3)10-16(15)19/h5-10,17H,4H2,1-3H3
InChIKeyFUWTUCMEDUYHDJ-UHFFFAOYSA-N
MW337.69 g/mol
LogP6.00
Rot. Bonds3

About 1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene

1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene (PubChem CID 115484808) has the molecular formula C17H18BrCl and a molecular weight of 337.69 g/mol. Its IUPAC name is 1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
PubChem CID115484808
Molecular FormulaC17H18BrCl
Molecular Weight337.69 g/mol
Exact Mass336.03
IUPAC Name1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
SMILESCCc1ccccc1C(Br)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C17H18BrCl/c1-4-13-7-5-6-8-14(13)17(18)15-9-11(2)12(3)10-16(15)19/h5-10,17H,4H2,1-3H3
InChIKeyFUWTUCMEDUYHDJ-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.69
LogP ≤ 56.00
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

1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 115483803
1-[bromo-(2,3-dimethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319692
1-[bromo-(4-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319679
1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113403111
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319646
1-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319689
3-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]-4-methylthiophene
CID 115484917
1-[bromo-(2-methylsulfanylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050590
1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 115484950
1-(1-bromo-2,2-dimethylpropyl)-2-chloro-4,5-dimethylbenzene
CID 115484786
1-[bromo-(3-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 107099330
2,5-dibromo-3-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]thiophene
CID 114021686

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene?
The IUPAC name of 1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene (CID 115484808) is 1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene.
What is the SMILES notation for 1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene?
The canonical SMILES for 1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene is CCc1ccccc1C(Br)c1cc(C)c(C)cc1Cl.
What is the InChIKey of 1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene?
The InChIKey is FUWTUCMEDUYHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl/c1-4-13-7-5-6-8-14(13)17(18)15-9-11(2)12(3)10-16(15)19/h5-10,17H,4H2,1-3H3.
What are the key properties of 1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene?
1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene has a molecular weight of 337.69 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene is sourced from PubChem (CID 115484808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).