4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene

C15H13BrCl2O — CID 63427444

IUPAC4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(Cl)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13BrCl2O/c1-19-15-7-4-11(16)9-13(15)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14H,8H2,1H3
InChIKeyIDTNWPMJGOPJTR-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.63
Rot. Bonds4

About 4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene

4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene (PubChem CID 63427444) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
PubChem CID63427444
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(Cl)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13BrCl2O/c1-19-15-7-4-11(16)9-13(15)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14H,8H2,1H3
InChIKeyIDTNWPMJGOPJTR-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.63
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-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-2-methoxybenzene
CID 63520054
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432776
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
4-[2-(4-bromophenyl)-1-chloroethyl]-1-methoxy-2-methylbenzene
CID 63434623
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
4-bromo-2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-1-ethoxybenzene
CID 63434482
1-bromo-3-[2-(4-bromophenyl)-1-chloroethyl]-5-chloro-2-methoxybenzene
CID 63430608
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63427314
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene (CID 63427444) is 4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene is COc1ccc(Br)cc1C(Cl)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene?
The InChIKey is IDTNWPMJGOPJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-19-15-7-4-11(16)9-13(15)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14H,8H2,1H3.
What are the key properties of 4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene?
4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene has a molecular weight of 360.08 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene is sourced from PubChem (CID 63427444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).