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

C15H12Br3ClO — CID 63435954

IUPAC1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene
SMILESCOc1c(Br)cc(Cl)cc1C(Br)c1ccc(Br)cc1C
InChIInChI=1S/C15H12Br3ClO/c1-8-5-9(16)3-4-11(8)14(18)12-6-10(19)7-13(17)15(12)20-2/h3-7,14H,1-2H3
InChIKeyMPCDUTDSZVACEU-UHFFFAOYSA-N
MW483.43 g/mol
LogP6.67
Rot. Bonds3

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

1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene (PubChem CID 63435954) has the molecular formula C15H12Br3ClO and a molecular weight of 483.43 g/mol. Its IUPAC name is 1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene
PubChem CID63435954
Molecular FormulaC15H12Br3ClO
Molecular Weight483.43 g/mol
Exact Mass479.81
IUPAC Name1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene
SMILESCOc1c(Br)cc(Cl)cc1C(Br)c1ccc(Br)cc1C
InChIInChI=1S/C15H12Br3ClO/c1-8-5-9(16)3-4-11(8)14(18)12-6-10(19)7-13(17)15(12)20-2/h3-7,14H,1-2H3
InChIKeyMPCDUTDSZVACEU-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.43
LogP ≤ 56.67
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-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene
CID 106862986
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-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
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
2-[bromo-(3-bromo-5-chloro-2-methoxyphenyl)methyl]-1-benzothiophene
CID 63436168
1-bromo-3-[2-(4-bromophenyl)-1-chloroethyl]-5-chloro-2-methoxybenzene
CID 63430608
1-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319689
2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
CID 107958215
(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
CID 81471992
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61100155

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene?
The IUPAC name of 1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene (CID 63435954) is 1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene.
What is the SMILES notation for 1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene?
The canonical SMILES for 1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene is COc1c(Br)cc(Cl)cc1C(Br)c1ccc(Br)cc1C.
What is the InChIKey of 1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene?
The InChIKey is MPCDUTDSZVACEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3ClO/c1-8-5-9(16)3-4-11(8)14(18)12-6-10(19)7-13(17)15(12)20-2/h3-7,14H,1-2H3.
What are the key properties of 1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene?
1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene has a molecular weight of 483.43 g/mol, XLogP of 6.67, 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-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene is sourced from PubChem (CID 63435954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).