1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene

C14H10BrCl3O — CID 63445203

IUPAC1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1C(Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl3O/c1-19-13-7-9(17)2-4-10(13)14(15)11-6-8(16)3-5-12(11)18/h2-7,14H,1H3
InChIKeyCMGRRULMHXHPRS-UHFFFAOYSA-N
MW380.50 g/mol
LogP6.14
Rot. Bonds3

About 1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene

1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene (PubChem CID 63445203) has the molecular formula C14H10BrCl3O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
PubChem CID63445203
Molecular FormulaC14H10BrCl3O
Molecular Weight380.50 g/mol
Exact Mass377.90
IUPAC Name1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1C(Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl3O/c1-19-13-7-9(17)2-4-10(13)14(15)11-6-8(16)3-5-12(11)18/h2-7,14H,1H3
InChIKeyCMGRRULMHXHPRS-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-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloro-2-methoxybenzene
CID 55197809
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432324
2-[bromo-(4-methoxyphenyl)methyl]-1,4-dichlorobenzene
CID 63436956
1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 104546466
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 63438875
3-bromo-5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-methylthiophene
CID 102836139
2-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3,5-dimethylthiophene
CID 81158564
5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764921
2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 55198018

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene?
The IUPAC name of 1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene (CID 63445203) is 1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene.
What is the SMILES notation for 1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene?
The canonical SMILES for 1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene is COc1cc(Cl)ccc1C(Br)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene?
The InChIKey is CMGRRULMHXHPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3O/c1-19-13-7-9(17)2-4-10(13)14(15)11-6-8(16)3-5-12(11)18/h2-7,14H,1H3.
What are the key properties of 1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene?
1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene 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-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene is sourced from PubChem (CID 63445203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).