1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene

C15H12Br2Cl2O — CID 106862986

IUPAC1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene
SMILESCOc1c(Br)cc(Cl)cc1C(Br)c1ccc(C)cc1Cl
InChIInChI=1S/C15H12Br2Cl2O/c1-8-3-4-10(13(19)5-8)14(17)11-6-9(18)7-12(16)15(11)20-2/h3-7,14H,1-2H3
InChIKeyIKSAPUGDNKGBPA-UHFFFAOYSA-N
MW438.97 g/mol
LogP6.56
Rot. Bonds3

About 1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene

1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene (PubChem CID 106862986) has the molecular formula C15H12Br2Cl2O and a molecular weight of 438.97 g/mol. Its IUPAC name is 1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene
PubChem CID106862986
Molecular FormulaC15H12Br2Cl2O
Molecular Weight438.97 g/mol
Exact Mass435.86
IUPAC Name1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene
SMILESCOc1c(Br)cc(Cl)cc1C(Br)c1ccc(C)cc1Cl
InChIInChI=1S/C15H12Br2Cl2O/c1-8-3-4-10(13(19)5-8)14(17)11-6-9(18)7-12(16)15(11)20-2/h3-7,14H,1-2H3
InChIKeyIKSAPUGDNKGBPA-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.97
LogP ≤ 56.56
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-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435954
3-[bromo-(3-bromo-5-chloro-2-methoxyphenyl)methyl]-4-methylthiophene
CID 79807715
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene
CID 63431157
1-bromo-3-[bromo-(3,4-difluorophenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435640
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435996
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
1-[bromo-(2,5-dimethoxyphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863008
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443615
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106863207
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863173

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene?
The IUPAC name of 1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene (CID 106862986) is 1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene.
What is the SMILES notation for 1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene?
The canonical SMILES for 1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene is COc1c(Br)cc(Cl)cc1C(Br)c1ccc(C)cc1Cl.
What is the InChIKey of 1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene?
The InChIKey is IKSAPUGDNKGBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2O/c1-8-3-4-10(13(19)5-8)14(17)11-6-9(18)7-12(16)15(11)20-2/h3-7,14H,1-2H3.
What are the key properties of 1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene?
1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene has a molecular weight of 438.97 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene is sourced from PubChem (CID 106862986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).