1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene

C15H12Br3ClO2 — CID 107958777

IUPAC1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Br)c2ccc(Br)cc2Br)cc1OC
InChIInChI=1S/C15H12Br3ClO2/c1-20-13-6-10(12(19)7-14(13)21-2)15(18)9-4-3-8(16)5-11(9)17/h3-7,15H,1-2H3
InChIKeyPGTUHQFELPLKQI-UHFFFAOYSA-N
MW499.42 g/mol
LogP6.37
Rot. Bonds4

About 1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene

1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene (PubChem CID 107958777) has the molecular formula C15H12Br3ClO2 and a molecular weight of 499.42 g/mol. Its IUPAC name is 1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
PubChem CID107958777
Molecular FormulaC15H12Br3ClO2
Molecular Weight499.42 g/mol
Exact Mass495.81
IUPAC Name1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Br)c2ccc(Br)cc2Br)cc1OC
InChIInChI=1S/C15H12Br3ClO2/c1-20-13-6-10(12(19)7-14(13)21-2)15(18)9-4-3-8(16)5-11(9)17/h3-7,15H,1-2H3
InChIKeyPGTUHQFELPLKQI-UHFFFAOYSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 63445141
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443430
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738
1-[bromo-(4-bromo-3-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 81294064
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 63444828
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958779
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63433300

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
The IUPAC name of 1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene (CID 107958777) is 1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene.
What is the SMILES notation for 1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
The canonical SMILES for 1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene is COc1cc(Cl)c(C(Br)c2ccc(Br)cc2Br)cc1OC.
What is the InChIKey of 1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
The InChIKey is PGTUHQFELPLKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3ClO2/c1-20-13-6-10(12(19)7-14(13)21-2)15(18)9-4-3-8(16)5-11(9)17/h3-7,15H,1-2H3.
What are the key properties of 1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene has a molecular weight of 499.42 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene is sourced from PubChem (CID 107958777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).