2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene

C14H10Br2Cl2O — CID 55197776

IUPAC2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2cc(Br)ccc2Cl)c(Br)c1
InChIInChI=1S/C14H10Br2Cl2O/c1-19-9-3-4-10(12(16)7-9)14(18)11-6-8(15)2-5-13(11)17/h2-7,14H,1H3
InChIKeyNHLWHCTXYVIVOB-UHFFFAOYSA-N
MW424.95 g/mol
LogP6.20
Rot. Bonds3

About 2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene

2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene (PubChem CID 55197776) has the molecular formula C14H10Br2Cl2O and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene
PubChem CID55197776
Molecular FormulaC14H10Br2Cl2O
Molecular Weight424.95 g/mol
Exact Mass421.85
IUPAC Name2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2cc(Br)ccc2Cl)c(Br)c1
InChIInChI=1S/C14H10Br2Cl2O/c1-19-9-3-4-10(12(16)7-9)14(18)11-6-8(15)2-5-13(11)17/h2-7,14H,1H3
InChIKeyNHLWHCTXYVIVOB-UHFFFAOYSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.95
LogP ≤ 56.20
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

(5-bromo-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanol
CID 61081523
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
CID 63429476
2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene
CID 63427637
4-bromo-2-[bromo-(4-methoxyphenyl)methyl]-1-chlorobenzene
CID 63437208
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 65311705
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
CID 63429005
2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
CID 63434919
1-[(2-bromo-4-methoxyphenyl)-chloromethyl]-3-chloro-5-methylbenzene
CID 81324400

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene?
The IUPAC name of 2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene (CID 55197776) is 2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene is COc1ccc(C(Cl)c2cc(Br)ccc2Cl)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene?
The InChIKey is NHLWHCTXYVIVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2Cl2O/c1-19-9-3-4-10(12(16)7-9)14(18)11-6-8(15)2-5-13(11)17/h2-7,14H,1H3.
What are the key properties of 2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene?
2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene has a molecular weight of 424.95 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene is sourced from PubChem (CID 55197776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).