1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene

C14H10BrCl3O — CID 63439370

IUPAC1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene
SMILESCOc1ccc(C(Br)c2cccc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C14H10BrCl3O/c1-19-12-6-5-8(7-11(12)17)13(15)9-3-2-4-10(16)14(9)18/h2-7,13H,1H3
InChIKeyKCKHBCMHHCHLOJ-UHFFFAOYSA-N
MW380.50 g/mol
LogP6.14
Rot. Bonds3

About 1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene

1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene (PubChem CID 63439370) has the molecular formula C14H10BrCl3O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene
PubChem CID63439370
Molecular FormulaC14H10BrCl3O
Molecular Weight380.50 g/mol
Exact Mass377.90
IUPAC Name1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene
SMILESCOc1ccc(C(Br)c2cccc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C14H10BrCl3O/c1-19-12-6-5-8(7-11(12)17)13(15)9-3-2-4-10(16)14(9)18/h2-7,13H,1H3
InChIKeyKCKHBCMHHCHLOJ-UHFFFAOYSA-N
XLogP6.14
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 ≤ 56.14
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-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 63428742
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477672
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methoxybenzene
CID 115369844
4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene
CID 63439421
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369
4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene
CID 103514473
3-[bromo-(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophene
CID 63439589
1-bromo-4-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2-chlorobenzene
CID 104546441
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441083
2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
CID 104546555

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene?
The IUPAC name of 1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene (CID 63439370) is 1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene.
What is the SMILES notation for 1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene?
The canonical SMILES for 1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene is COc1ccc(C(Br)c2cccc(Cl)c2Cl)cc1Cl.
What is the InChIKey of 1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene?
The InChIKey is KCKHBCMHHCHLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3O/c1-19-12-6-5-8(7-11(12)17)13(15)9-3-2-4-10(16)14(9)18/h2-7,13H,1H3.
What are the key properties of 1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene?
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene has a molecular weight of 380.50 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene is sourced from PubChem (CID 63439370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).