1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene

C14H10BrCl3O — CID 63427314

IUPAC1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene
SMILESCOc1ccc(Br)cc1C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10BrCl3O/c1-19-13-5-2-8(15)6-11(13)14(18)10-4-3-9(16)7-12(10)17/h2-7,14H,1H3
InChIKeyLYTWISDIGVSLSG-UHFFFAOYSA-N
MW380.50 g/mol
LogP6.09
Rot. Bonds3

About 1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene

1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene (PubChem CID 63427314) has the molecular formula C14H10BrCl3O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene
PubChem CID63427314
Molecular FormulaC14H10BrCl3O
Molecular Weight380.50 g/mol
Exact Mass377.90
IUPAC Name1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene
SMILESCOc1ccc(Br)cc1C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10BrCl3O/c1-19-13-5-2-8(15)6-11(13)14(18)10-4-3-9(16)7-12(10)17/h2-7,14H,1H3
InChIKeyLYTWISDIGVSLSG-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
4-bromo-1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-fluorobenzene
CID 63427826
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485
4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene
CID 55198482
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533
2-bromo-1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-3-methylbenzene
CID 107983422
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 63434698

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene (CID 63427314) is 1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene is COc1ccc(Br)cc1C(Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene?
The InChIKey is LYTWISDIGVSLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3O/c1-19-13-5-2-8(15)6-11(13)14(18)10-4-3-9(16)7-12(10)17/h2-7,14H,1H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene?
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene has a molecular weight of 380.50 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene is sourced from PubChem (CID 63427314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).