2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene

C14H11BrCl2O — CID 63428998

IUPAC2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrCl2O/c1-18-13-7-6-11(16)8-12(13)14(17)9-2-4-10(15)5-3-9/h2-8,14H,1H3
InChIKeyAKKDYAQMSOWJSM-UHFFFAOYSA-N
MW346.05 g/mol
LogP5.44
Rot. Bonds3

About 2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene

2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene (PubChem CID 63428998) has the molecular formula C14H11BrCl2O and a molecular weight of 346.05 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
PubChem CID63428998
Molecular FormulaC14H11BrCl2O
Molecular Weight346.05 g/mol
Exact Mass343.94
IUPAC Name2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrCl2O/c1-18-13-7-6-11(16)8-12(13)14(17)9-2-4-10(15)5-3-9/h2-8,14H,1H3
InChIKeyAKKDYAQMSOWJSM-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.05
LogP ≤ 55.44
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

4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene
CID 113425541
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63427314
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene
CID 63428712
4-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427655
1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
1-bromo-4-[(4-bromophenyl)-chloromethyl]-2,5-dimethoxybenzene
CID 105057222
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
1-bromo-2-[(4-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432397
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene (CID 63428998) is 2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1C(Cl)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene?
The InChIKey is AKKDYAQMSOWJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O/c1-18-13-7-6-11(16)8-12(13)14(17)9-2-4-10(15)5-3-9/h2-8,14H,1H3.
What are the key properties of 2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene?
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene has a molecular weight of 346.05 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 63428998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).