1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene

C15H13Br2Cl — CID 55199070

IUPAC1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
SMILESCCc1ccc(C(Cl)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C15H13Br2Cl/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h3-9,15H,2H2,1H3
InChIKeyYKNKKGYQVRVHNC-UHFFFAOYSA-N
MW388.53 g/mol
LogP6.10
Rot. Bonds3

About 1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene

1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene (PubChem CID 55199070) has the molecular formula C15H13Br2Cl and a molecular weight of 388.53 g/mol. Its IUPAC name is 1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
PubChem CID55199070
Molecular FormulaC15H13Br2Cl
Molecular Weight388.53 g/mol
Exact Mass385.91
IUPAC Name1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
SMILESCCc1ccc(C(Cl)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C15H13Br2Cl/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h3-9,15H,2H2,1H3
InChIKeyYKNKKGYQVRVHNC-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 56.10
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

4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
CID 55197941
1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene
CID 107980813
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818
1-bromo-4-ethylbenzene
CID 15313
4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55198727
1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene
CID 63440295
2-bromo-4-[chloro-(2,5-dibromophenyl)methyl]thiophene
CID 107964452
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene
CID 63430619
2-bromo-4-[chloro-(4-ethylphenyl)methyl]thiophene
CID 107964496
1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene
CID 81308392
(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol
CID 114033085

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene?
The IUPAC name of 1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene (CID 55199070) is 1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene is CCc1ccc(C(Cl)c2cc(Br)ccc2Br)cc1.
What is the InChIKey of 1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene?
The InChIKey is YKNKKGYQVRVHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2Cl/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h3-9,15H,2H2,1H3.
What are the key properties of 1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene?
1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene has a molecular weight of 388.53 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene is sourced from PubChem (CID 55199070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).